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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DS_cpgyq72fs7uk_0
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AuCaClCo2CrCuF2KLiMgMnMo2Na2NiPdPtScSiSn2V4Zn4
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AuCaClCo2CrCuF2KLiMgMnMo2Na2NiPdPtScSiSn2V4Zn4
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CFFeIn2ScSiV
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CFFeIn2ScSiV
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A2BCDEFG
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| 3
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[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3855467139229548990661927
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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Li16Mg16
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LiMg
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9816333534159810942760145
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| 2025-04-16T18:30:08
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_1254097780471027438682019
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F16K16
|
FK
|
AB
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9817854548166775015139789
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| 2025-04-16T17:58:24
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -101.190724
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[
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H6Al2Co4Cu2In2Li2Mg2Mn2Na2O2Pb2Ru2Sn2
|
AlCo2CuH3InLiMgMnNaOPbRuSn
|
A3B2CDEFGHIJKLM
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1,
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[
"hme21_test_874"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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| 2025-04-16T15:23:14
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.028023
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H2Al2Ba2Ca2Cl2In2Ir2Li2N2Na2Ni2Pd4Ru2Si4
|
AlBaCaClHInIrLiNNaNiPd2RuSi2
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A2B2CDEFGHIJKLMN
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| 14
| 3
|
[
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3869450477812230593168627
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| 2025-04-16T16:56:51
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -33.152432
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[] | null | null | null | null | null | null | 4.70038
| 2.011645
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CO_5043348733048115568560383
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[
true,
true,
true
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F2MnNNaPtRuV
|
F2MnNNaPtRuV
|
A2BCDEFG
|
[
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[
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| 7
| 3
|
[
1,
1,
1
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[
"hme21_test_1147"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3873069564616568605183470
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| 2025-04-16T18:55:36
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -129.864989
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CO_2104655652699596239752018
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Ag2Al2AuBaCoCr3CuFeIrLiMnNi2P3Pb2PtS3Sc3SnTiZn
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Ag2Al2AuBaCoCr3CuFeIrLiMnNi2P3Pb2PtS3Sc3SnTiZn
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A3B3C3D3E2F2G2H2IJKLMNOPQRST
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Co4Si28
|
CoSi7
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A7B
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3872532579076909847973037
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| 2025-04-16T17:32:02
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_1001603231195779033308155
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C2Ca2Cl4Co2Cr4F4Ir4Na2Pt2S2Sn2V2
|
CCaCl2CoCr2F2Ir2NaPtSSnV
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A2B2C2D2EFGHIJKL
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| 12
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3874124234455037681444279
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| 2025-04-16T21:09:01
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
| -202.198068
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DS_cpgyq72fs7uk_0
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C2AlBa2ClCu3InKLi3Mn2O2P2PbPt2RhRu3S2SiSnTi
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AlBa2C2ClCu3InKLi3Mn2O2P2PbPt2RhRu3S2SiSnTi
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A3B3C3D2E2F2G2H2I2J2KLMNOPQRS
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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AgAl2Au2Co2Cr4CuFHIn2IrMgMoNNaNiO2PPdPt2RhSSnZn
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A4B2C2D2E2F2G2H2I2J2KLMNOPQRST
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[
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9844145094863497914494893
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| 2025-04-16T20:47:45
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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Ti32
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Ti
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A
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| 1
| 3
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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In16Ti16
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InTi
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AB
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| 2
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9839579760116350714230869
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| 2025-04-16T17:52:39
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 15.197746
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CO_2126179380463465543241489
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true
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C32
|
C
|
A
|
[
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1
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| 1
| 3
|
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3890194281286567421249103
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| 2025-04-16T16:20:57
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -22.382828
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[
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[] | null | null | null | null | null | null | 1.368877
| 0.784904
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CO_1299056981355789826847906
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[
true,
true,
true
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BaClCuInLiMnMoPt
|
BaClCuInLiMnMoPt
|
ABCDEFGH
|
[
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[
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0.125,
0.125,
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0.125
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[
49,
17,
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29,
56,
25,
3,
78
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| 8
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3909275239344177456601644
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| 2025-04-16T21:51:00
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -130.967308
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[
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CO_3702571292322203750410364
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Fe16Si16
|
FeSi
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AB
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3897514527301998582463384
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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K16Mn16
|
KMn
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AB
|
[
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19,
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3901664882853667290301689
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| 2025-04-16T19:49:39
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.840776
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CO_6045295950587610895631311
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C8Co8Fe8Zn8
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CCoFeZn
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ABCD
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| 4
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|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3900230947412945640212177
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| 2025-04-16T20:33:59
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -22.907261
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[] | null | null | null | null | null | null | 5.890562
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CO_1111520222310814998450093
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HClCoFe2MoRhSi
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ClCoFe2HMoRhSi
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A2BCDEFG
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[
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| 7
| 3
|
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1,
1,
1
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[
"hme21_test_546"
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9867868645484903381409204
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| 2025-04-16T18:41:25
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -157.476566
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CO_1007985509799907707227212
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C2Ag2Ba2Cr4In2Li4Mo2N4O2Pd2Ru2S2Si2
|
AgBaCCr2InLi2MoN2OPdRuSSi
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A2B2C2DEFGHIJKLM
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| 13
| 3
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[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9871896931821191032054483
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| 2025-04-16T19:03:49
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -112.294715
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[] | null | null | null | null | null | null | 7.26993
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CO_4642498612143203966041786
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H2Al2Ba4Ca2Cl4F2Mn2Ni2P2Pd2S2Si2Ti2Zn2
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AlBa2CaCl2FHMnNiPPdSSiTiZn
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A2B2CDEFGHIJKLMN
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| 14
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9885666359887598776804342
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| 2025-04-16T16:47:26
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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Sc32
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Sc
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A
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T21:13:40
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Pd4Sn28
|
PdSn7
|
A7B
|
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[
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9860090562376842669779606
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| 2025-04-16T17:27:47
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.505599
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CO_4274427164700822743376276
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Si32
|
Si
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A
|
[
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| 1
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|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3916654851184041070071606
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| 2025-04-16T16:34:13
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -118.740064
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Fe8In8Si16
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FeInSi2
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A2BC
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[
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[
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3916708154957457604246032
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| 2025-04-16T18:30:46
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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AuClCoCuMnMoOP
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AuClCoCuMnMoOP
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ABCDEFGH
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9877827385719372212927852
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| 2025-04-16T18:30:27
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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F16Pd16
|
FPd
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AB
|
[
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[
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| 2
| 3
|
[
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3939570226247424298079498
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| 2025-04-16T17:26:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -166.12612
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CO_5407537182509079616352802
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Rh16Sn16
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RhSn
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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Cu16F16
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Rh16S16
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3941474231918128152257363
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| 2025-04-16T21:04:12
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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true
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Sn32
|
Sn
|
A
|
[
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[
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| 1
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|
[
1,
1,
1
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[
"hme21_test_843"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3940859196305702493399377
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_4670118274426509338007502
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true
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Ag8Cu8Ru8Si8
|
AgCuRuSi
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ABCD
|
[
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[
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| 4
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3953644041054868835322677
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| 2025-04-16T18:16:41
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.096892
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CO_7163984358812727059964309
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true
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Mg4Sc28
|
MgSc7
|
A7B
|
[
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[
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3956278602897360833586555
|
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| 2025-04-16T18:06:57
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -144.111807
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[] | null | null | null | null | null | null | 7.819795
| 2.394138
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CO_7665976063314731702103761
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Fe10O20
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FeO2
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A2B
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T15:43:08
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_5926225938183316648957543
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[
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Au8Ca8Fe8Pb8
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AuCaFePb
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ABCD
|
[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9923853085699928255105663
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| 2025-04-16T16:08:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 1.401594
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CO_1251814810892275759460158
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true
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CaCoCrFeNaNiOS
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CaCoCrFeNaNiOS
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ABCDEFGH
|
[
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[
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[
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27,
11
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| 8
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9896460008809844513648029
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| 2025-04-17T17:45:49
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 11.448703
| 2.52072
| null |
CO_1028462870527180295113162
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[
true,
true,
true
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CCaCr2Cu2FFeIr4KLi2Ni4OPbPdRh2Ru3Si2Ti2V
|
CCaCr2Cu2FFeIr4KLi2Ni4OPbPdRh2Ru3Si2Ti2V
|
A4B4C3D2E2F2G2H2I2JKLMNOPQR
|
[
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"F",
"Fe",
"Ir",
"K",
"Li",
"Ni",
"O",
"Pb",
"Pd",
"Rh",
"Ru",
"Si",
"Ti",
"V"
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82,
14,
14,
6,
26,
9,
8,
46,
23,
19,
20
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| 18
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2058"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9889191057940783179801283
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| 2025-04-16T17:33:31
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DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -167.968977
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[] | null | null | null | null | null | null | 12.801357
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| null |
CO_9738611737717458240177048
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true,
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true
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Ba8Cr8N8P8
|
BaCrNP
|
ABCD
|
[
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"P"
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[
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0.25
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56,
56,
24,
24,
24,
24,
24,
24,
24,
24
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_369"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9881404255073436521134329
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| 2025-04-16T16:01:29
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -175.05381
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[
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] |
[] | null | null | null | null | null | null | 13.909442
| 4.120874
| null |
CO_1288230025002708274274915
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[
true,
true,
true
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C28Mg4
|
C7Mg
|
A7B
|
[
"C",
"Mg"
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[
0.875,
0.125
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6,
6,
6,
6,
6,
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6,
12,
12,
12,
12
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2357"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_3187226317521139636017798
|
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| 2025-04-16T18:28:24
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -189.220506
|
[
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[] | null | null | null | null | null | null | 10.605275
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CO_8721881141281848479312697
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true
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C8P8Pt8Ru8
|
CPPtRu
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ABCD
|
[
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[
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15,
15,
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15,
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15,
15,
15
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| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_2300"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3180018721378974853731960
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| 2025-04-16T17:29:14
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 3.817268
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CO_1197593020837750067917637
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[
true,
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true
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Ba16Mn16
|
BaMn
|
AB
|
[
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[
0.5,
0.5
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25,
25,
25,
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25,
25,
25,
25,
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| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_1379"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3972573271278899516733563
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| 2025-04-16T16:56:18
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -72.624748
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[
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[
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[] | null | null | null | null | null | null | 4.920368
| 2.414424
| null |
CO_7347117184785959642555671
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[
true,
true,
true
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In16K8P8
|
In2KP
|
A2BC
|
[
"In",
"K",
"P"
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[
0.5,
0.25,
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[
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15,
15,
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15,
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15,
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] | 32
| 3
| 3
|
[
1,
1,
1
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[
"hme21_test_1270"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3972773804940842165472379
|
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| 2025-04-16T17:21:42
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -144.41339
|
[
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true
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Fe10O20
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FeO2
|
A2B
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[
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[
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| 2
| 3
|
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1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3970650248723715320820670
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| 2025-04-16T21:22:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -183.710334
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[] | null | null | null | null | null | null | 5.409357
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CO_1018042216433368941694959
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[
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true
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F8Mn8S8Ti8
|
FMnSTi
|
ABCD
|
[
"F",
"Mn",
"S",
"Ti"
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[
0.25,
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22,
22,
22,
22,
25,
25,
25,
25,
25,
25,
25,
25
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_1220"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3970146772228030213298296
|
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| 2025-04-16T15:44:08
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -34.569242
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[
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[
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[] | null | null | null | null | null | null | 3.689548
| 1.632967
| null |
CO_6057272390170123127425332
|
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[
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[
true,
true,
true
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CFe2MgNRuScSn
|
CFe2MgNRuScSn
|
A2BCDEFG
|
[
"C",
"Fe",
"Mg",
"N",
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[
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[
26,
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21,
50,
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12,
44,
6
] | 8
| 7
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1428"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3186818071576261115592809
|
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| 2025-04-16T17:44:01
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -25.224112
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[
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4.44061067
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[
-0.13202908,
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] |
[] | null | null | null | null | null | null | 4.737392
| 1.841162
| null |
CO_1298900247615257300436208
|
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[
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5.01042027
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[
2.84949051,
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7.27254933
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[
true,
true,
true
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CAlFe2InMgPtRh
|
AlCFe2InMgPtRh
|
A2BCDEFG
|
[
"Al",
"C",
"Fe",
"In",
"Mg",
"Pt",
"Rh"
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[
0.125,
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0.25,
0.125,
0.125,
0.125,
0.125
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[
26,
26,
13,
12,
49,
6,
45,
78
] | 8
| 7
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2159"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3962638700749931849006104
|
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| 2025-04-16T21:37:22
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -110.475205
|
[
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -183.592037
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[
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[] | null | null | null | null | null | null | 8.808937
| 3.730624
| null |
CO_4773887543993338897648266
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[
true,
true,
true
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Mn8N8Pd8Rh8
|
MnNPdRh
|
ABCD
|
[
"Mn",
"N",
"Pd",
"Rh"
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[
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45,
45,
45,
25,
25,
25,
25,
25,
25,
25,
25
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_test_164"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_3194282568139957046446062
|
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| 2025-04-16T20:52:54
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -133.607681
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[
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[] | null | null | null | null | null | null | 3.779409
| 1.57329
| null |
CO_7775316316057870977137871
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[
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[
true,
true,
true
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AuCaCoCr2Cu2FFe2InIrK2LiMgMnMoNNiO3PPdPtRuScSiSnVZn
|
AuCaCoCr2Cu2FFe2InIrK2LiMgMnMoNNiO3PPdPtRuScSiSnVZn
|
A3B2C2D2E2FGHIJKLMNOPQRSTUVWXYZ
|
[
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"Ni",
"O",
"P",
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"Pt",
"Ru",
"Sc",
"Si",
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[
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46,
14,
7,
21,
3,
20,
49,
28,
77
] | 32
| 26
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1457"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3199041669882468402601835
|
3199041669882468402601835182634228223031383150341566347307957634671824815203937107257755275228418389386300865090845860018899220051649572733367066062020687
| 2025-04-16T19:56:48
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -30.3577
|
[
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[
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] |
[] | null | null | null | null | null | null | 2.318989
| 1.268053
| null |
CO_8775768685660754009071593
|
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|
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[
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[
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] |
[
true,
true,
true
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AgMnMoPbPd2Ru2
|
AgMnMoPbPd2Ru2
|
A2B2CDEF
|
[
"Ag",
"Mn",
"Mo",
"Pb",
"Pd",
"Ru"
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[
0.125,
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0.125,
0.125,
0.25,
0.25
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[
82,
47,
44,
44,
46,
46,
42,
25
] | 8
| 6
| 3
|
[
1,
1,
1
] |
[
"hme21_test_1764"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3226564532573507727882480
|
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| 2025-04-16T15:40:09
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -161.109013
|
[
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Fe10O20
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FeO2
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A2B
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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Au8Cr8Ni8O8
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ABCD
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3239332712058584345689986
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| 2025-04-16T18:14:37
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_1094501910892038035842700
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Fe10O20
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FeO2
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A2B
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3240079728698225225430441
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| 2025-04-16T21:22:14
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_7491325731698140472436958
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true
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Mn16Rh16
|
MnRh
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AB
|
[
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[
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| 2
| 3
|
[
1,
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1
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[
"hme21_test_167"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3224603208993071711951786
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| 2025-04-16T21:28:46
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -84.651829
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[] | null | null | null | null | null | null | 3.703779
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CO_1098859022320566427791242
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[
true,
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true
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Co2Cr2F2Mn2Mo4Ru2V2
|
CoCrFMnMo2RuV
|
A2BCDEFG
|
[
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"F",
"Mn",
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[
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44,
44,
9,
9
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| 7
| 3
|
[
1,
1,
1
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[
"hme21_test_1159"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3224471295565259925011676
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| 2025-04-17T17:45:49
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -133.355421
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[] | null | null | null | null | null | null | 2.681219
| 1.256013
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CO_8700519846842826787694066
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[
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[
true,
true,
true
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In16Sc16
|
InSc
|
AB
|
[
"In",
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[
0.5,
0.5
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[
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21,
21,
21,
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21,
21,
21,
21,
21
] | 32
| 2
| 3
|
[
1,
1,
1
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[
"hme21_test_1265"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3252251618412847003598980
|
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| 2025-04-16T20:28:37
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -26.176257
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[
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[
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[] | null | null | null | null | null | null | 2.111444
| 0.81291
| null |
CO_4729166926511027003970343
|
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[
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[
true,
true,
true
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AuBaInMnNaPbSSc
|
AuBaInMnNaPbSSc
|
ABCDEFGH
|
[
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"In",
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"Na",
"Pb",
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[
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[
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82,
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16,
56,
11,
21
] | 8
| 8
| 3
|
[
1,
1,
1
] |
[
"hme21_test_43"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3258843945071543864915501
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| 2025-04-16T16:43:24
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -91.902005
|
[
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[] | null | null | null | null | null | null | 7.06737
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CO_1320010486515445197616686
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Au8Cu8Ni8Ru8
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AuCuNiRu
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ABCD
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[
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[
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28
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[
1,
1,
1
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[
"hme21_test_1552"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3265394305467699692388737
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| 2025-04-16T21:29:37
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 5.692444
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CO_3275063256744376515191262
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true
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Mn4Pd28
|
MnPd7
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A7B
|
[
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[
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| 2
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3583924895332842833910054
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| 2025-04-16T21:30:02
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 5.91814
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CO_1239180267468897463422476
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Al28Ba4
|
Al7Ba
|
A7B
|
[
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[
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| 2
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|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3590831929920095411772865
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| 2025-04-16T21:27:46
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -139.30986
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[] | null | null | null | null | null | null | 6.760817
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CO_2957145291276787190124862
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BaC4ClCoCuF2KMg2MnNNa2NiPbPdPt2Ru2Sc2Si3SnTiZn
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A4B3C2D2E2F2G2H2IJKLMNOPQRSTU
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| 21
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3591628227191976561923800
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| 2025-04-17T18:16:17
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -22.084623
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[] | null | null | null | null | null | null | 1.370167
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AuBaCaIn2PdScSi
|
AuBaCaIn2PdScSi
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A2BCDEFG
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[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3615670251457267991532538
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| 2025-04-16T18:55:55
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -69.673723
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[
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[] | null | null | null | null | null | null | 5.354886
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CO_1352147013318598319285760
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true,
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true
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CuFeMgMnNaNiOPPbPdRu2Sn2V2
|
CuFeMgMnNaNiOPPbPdRu2Sn2V2
|
A2B2C2DEFGHIJKLM
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| 13
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3595928883927908904960132
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| 2025-04-16T16:28:27
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -95.592165
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[] | null | null | null | null | null | null | 7.20413
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CO_4288898926406005539088774
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true,
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true
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Co8In8Mg8P8
|
CoInMgP
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ABCD
|
[
"Co",
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"Mg",
"P"
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[
0.25,
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15,
12,
12,
12,
12,
12,
12,
12,
12
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_test_89"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3605394975148044299054901
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| 2025-04-16T16:31:56
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 10.218096
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CO_1123903447868903899164442
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[
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[
true,
true,
true
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P32
|
P
|
A
|
[
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[
1
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15,
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15,
15,
15,
15,
15
] | 32
| 1
| 3
|
[
1,
1,
1
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[
"hme21_test_2125"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3608089472015914072201541
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| 2025-04-16T17:11:10
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -137.678364
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[
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[] | null | null | null | null | null | null | 12.013906
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CO_6261826822407034035553043
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[
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true
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Au8In8Ir8P8
|
AuInIrP
|
ABCD
|
[
"Au",
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"P"
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[
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[
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15,
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| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_2214"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3608831587169923952612426
|
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| 2025-04-16T16:57:14
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -221.866916
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[
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[
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[] | null | null | null | null | null | null | 14.920437
| 3.982579
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CO_4983233505308729686251579
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DS_cpgyq72fs7uk_0
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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data/MD/4357/MD_1024398629573454165794357.json
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_1155631342522121499906759
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[
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[
true,
true,
true
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Fe16Li8Pd8
|
Fe2LiPd
|
A2BC
|
[
"Fe",
"Li",
"Pd"
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[
0.5,
0.25,
0.25
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3,
3,
3,
3,
3,
3,
3,
3
] | 32
| 3
| 3
|
[
1,
1,
1
] |
[
"hme21_test_322"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3631295361214937006584897
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| 2025-04-16T15:09:27
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -122.351493
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[
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[] | null | null | null | null | null | null | 2.017591
| 1.020964
| null |
CO_1271624693372784235184873
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12716246933727842351848737575492689084275945920216448128427036372810419259302243412256731863616347737481626190419257689374461657545049697729097361435251339
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[
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[
true,
true,
true
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K8Mo8Pb8Rh8
|
KMoPbRh
|
ABCD
|
[
"K",
"Mo",
"Pb",
"Rh"
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[
0.25,
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0.25
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19,
19,
19,
19,
82,
82,
82,
82,
82,
82,
82,
82
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_2292"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_3632477756398615428953503
|
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| 2025-04-16T17:44:41
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -206.466161
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[
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[
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[] | null | null | null | null | null | null | 5.613824
| 1.724891
| null |
CO_1244191091001130727271312
|
12441910910011307272713127381748173823648675020567000914203409028360087350501357751095916212279594614746810280095129691710451683338915235303887198468353592
|
11813510253126878476540230526631797592561193843668475729934684422745688914461468878627665931551689768546302642194872477866465648999265635010719143291711340
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[
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[
6.50037265,
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2.1530571
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] |
[
true,
true,
true
] |
Pd8Rh8Ru8Sc8
|
PdRhRuSc
|
ABCD
|
[
"Pd",
"Rh",
"Ru",
"Sc"
] |
[
0.25,
0.25,
0.25,
0.25
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[
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44,
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44,
44,
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45,
45,
45,
45,
45,
45,
45,
21,
21,
21,
21,
21,
21,
21,
21
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_test_185"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3639857780369806876665915
|
3639857780369806876665915026633098849012232862950458211732018641979639217832014747374065276318808187230617938926154821919307307628675583391161818752512360
| 2025-04-16T18:14:52
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -123.753664
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[
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CO_1075552664880400249223567
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C2H2AlAuBa3Ca2ClCoCrIn3LiMgMn3MoNi2OPbRhS2Ti2
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AlAuBa3C2Ca2ClCoCrH2In3LiMgMn3MoNi2OPbRhS2Ti2
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A3B3C3D2E2F2G2H2I2JKLMNOPQRST
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| 20
| 3
|
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3658683946123145418231122
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.371935
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KNi2PPbS2V
|
KNi2PPbS2V
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A2B2CDEF
|
[
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| 6
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[
1,
1,
1
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[
"hme21_test_607"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3656234573499032224447223
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| 2025-04-16T21:38:17
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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CO_1023104340643632046704295
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[
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true
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Ba8Cr8Ir8Li8
|
BaCrIrLi
|
ABCD
|
[
"Ba",
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"Ir",
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[
0.25,
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24,
24,
56,
56,
56,
56,
56,
56,
56,
56
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| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_2143"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3660428163055704730322888
|
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| 2025-04-16T15:45:35
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
| -120.735413
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[] | null | null | null | null | null | null | 8.550159
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CO_8672556987201954422534322
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true
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H2AgAl2AuBaCl2F2KMg3MoN2Na3NiO2PbRh2Ru3SSc
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AgAl2AuBaCl2F2H2KMg3MoN2Na3NiO2PbRh2Ru3SSc
|
A3B3C3D2E2F2G2H2I2J2KLMNOPQRS
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3645108869838069754191415
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| 2025-04-16T16:51:20
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 2.892628
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CoCrLiMnNaPRhS
|
CoCrLiMnNaPRhS
|
ABCDEFGH
|
[
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| 3
|
[
1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3659415731674063954021177
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| 2025-04-16T16:57:01
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
| -30.34606
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[] | null | null | null | null | null | null | 1.600866
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CO_4789730929989513547899097
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[
true,
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true
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HCrIrMo2NaRh2
|
CrHIrMo2NaRh2
|
A2B2CDEF
|
[
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| 6
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3667598356583577186024632
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| 2025-04-16T17:10:46
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DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.508892
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CO_2434234155874497608065723
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[
true,
true,
true
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H2AgAu2BaCaFIn2Ir2K2MnNaNi4O4PdRh2Sc2SiSnTi
|
AgAu2BaCaFH2In2Ir2K2MnNaNi4O4PdRh2Sc2SiSnTi
|
A4B4C2D2E2F2G2H2I2JKLMNOPQRS
|
[
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47
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| 19
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3663572384320808903315458
|
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| 2025-04-17T17:56:16
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -125.922415
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[
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[
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[] | null | null | null | null | null | null | 10.292417
| 3.276643
| null |
CO_8196341668845399448354701
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[
true,
true,
true
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H2Cl2Co2Cu2F2Ir4Mg4Na2O4Si2Ti2V2Zn2
|
ClCoCuFHIr2Mg2NaO2SiTiVZn
|
A2B2C2DEFGHIJKLM
|
[
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"Cu",
"F",
"H",
"Ir",
"Mg",
"Na",
"O",
"Si",
"Ti",
"V",
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0.125,
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17,
17,
1,
1,
29,
29
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| 13
| 3
|
[
1,
1,
1
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[
"hme21_test_1544"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3662925451234493727854205
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| 2025-04-16T18:05:53
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.804347
| 2.068256
| null |
CO_6783986993821697219867243
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true
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Cr8Fe8P8Zn8
|
CrFePZn
|
ABCD
|
[
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[
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26,
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26,
26,
26
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| 4
| 3
|
[
1,
1,
1
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[
"hme21_test_2131"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3670118312124507411467306
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| 2025-04-16T21:09:01
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -93.606886
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[
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[] | null | null | null | null | null | null | 3.684716
| 1.608054
| null |
CO_1131303158523378551613027
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[
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] |
[
true,
true,
true
] |
Pd16Zn16
|
PdZn
|
AB
|
[
"Pd",
"Zn"
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[
0.5,
0.5
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[
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30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_test_2261"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_3684091037368721035642445
|
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| 2025-04-16T20:51:28
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -126.555129
|
[
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CO_7286330078690959356691850
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H2Ag2Al2Cl2Cr2F4In2K2N2Na2P2Pb2Ti2V2Zn2
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AgAlClCrF2HInKNNaPPbTiVZn
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A2BCDEFGHIJKLMNO
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| 15
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_3685244591565596147358350
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DS_cpgyq72fs7uk_0
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VASP 5.4.4
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CO_4116551975192071720846510
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Ag8Ba8Pd8Sc8
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AgBaPdSc
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ABCD
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[
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21
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| 4
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_3693081275820769987400578
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| 2025-04-16T16:54:34
|
DS_cpgyq72fs7uk_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 5.337655
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CO_8049400732474111856662387
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true
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Cr8Mg8Mo8Pd8
|
CrMgMoPd
|
ABCD
|
[
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[
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42,
42,
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42
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| 4
| 3
|
[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_3699624141301763997708385
|
369962414130176399770838573253761793412794655363378853431314160516180211628789487299881550419333090894765253013990195846769709506789734723122374867684347
| 2025-04-16T18:09:29
|
DS_cpgyq72fs7uk_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -83.275907
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[
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],
[
0.03246294,
-0.96380654,
0.69381073
]
] |
[] | null | null | null | null | null | null | 4.710677
| 2.06728
| null |
CO_1143850839427251895162154
|
1143850839427251895162154678182808207305268022842840741805492855870109367346119271585969862674061908663655813908546620798822219558399703859860366746462346
|
7046886613636392966382665559257201120645694388767261125721108524345140836098097145671833741825704097877683258173324773240079610908681193656502152572100774
|
[
[
8.8,
0,
0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] |
[
[
0.29788202,
1.33295545,
4.15700217
],
[
8.36063184,
5.52162072,
5.76395063
],
[
4.22790113,
0.00458674,
8.34677809
],
[
6.78310098,
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6.15508177
],
[
4.43284934,
8.71328841,
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1.49573266,
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],
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7.72098307
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6.8112499,
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[
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],
[
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],
[
1.01000161,
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],
[
4.95741778,
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4.70135899
],
[
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],
[
1.52237281,
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],
[
4.31312367,
5.31742103,
3.88396958
],
[
1.64240666,
1.97222414,
2.03410099
],
[
4.93663746,
1.99893197,
1.82991987
],
[
1.81012999,
0.83281361,
6.86785493
],
[
7.00548781,
0.40175907,
8.51464381
],
[
2.34139365,
6.94155502,
7.49801677
],
[
2.2988005,
5.06127248,
5.92347052
],
[
7.55603578,
2.93149991,
8.47920858
]
] |
[
true,
true,
true
] |
Ag8Au8P8Zn8
|
AgAuPZn
|
ABCD
|
[
"Ag",
"Au",
"P",
"Zn"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
79,
79,
79,
79,
79,
79,
79,
79,
30,
30,
30,
30,
30,
30,
30,
30,
15,
15,
15,
15,
15,
15,
15,
15,
47,
47,
47,
47,
47,
47,
47,
47
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_test_470"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
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