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{
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{
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{
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{
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"created_at": "2022-09-04T14:44:20.066905Z",
"structure_string": "Sr1 Nb2 Ni1 Cl1 O7\n1.0\n3.941866 0.000000 0.000000\n0.000000 3.941866 0.000000\n0.000000 0.000000 11.989494\nSr Nb Ni Cl O\n1 2 1 1 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.809136 Nb\n0.000000 0.000000 0.190864 Nb\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.157163 O\n0.000000 0.000000 0.657339 O\n0.500000 0.000000 0.842837 O\n0.000000 0.000000 0.342661 O\n0.000000 0.500000 0.157163 O\n0.000000 0.500000 0.842837 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1178467",
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"structure_string": "Cs8 Ce4 O12\n1.0\n6.896431 0.005102 -0.001688\n-3.443303 6.643690 -0.002688\n-0.003615 -0.007755 14.617785\nCs Ce O\n8 4 12\ndirect\n0.372774 0.743197 0.082913 Cs\n0.053963 0.108998 0.132696 Cs\n0.126321 0.251794 0.584389 Cs\n0.445589 0.890694 0.632215 Cs\n0.555083 0.103774 0.363793 Cs\n0.878441 0.747936 0.417251 Cs\n0.942380 0.889761 0.866659 Cs\n0.622937 0.249381 0.918586 Cs\n0.238018 0.477119 0.341061 Ce\n0.259006 0.520307 0.840032 Ce\n0.758555 0.521476 0.660100 Ce\n0.740321 0.478323 0.161155 Ce\n0.023337 0.546082 0.251176 O\n0.340526 0.682849 0.445669 O\n0.082668 0.176844 0.368622 O\n0.160115 0.321573 0.947006 O\n0.408717 0.820919 0.868100 O\n0.476425 0.453469 0.751012 O\n0.517595 0.536262 0.250681 O\n0.838217 0.681046 0.055514 O\n0.595187 0.178304 0.131336 O\n0.905410 0.822714 0.633196 O\n0.662851 0.323737 0.553053 O\n0.980955 0.459348 0.748205 O\n",
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{
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{
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{
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"total_magnetization": 0.0001276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.679000Z",
"spacegroup": 198
},
{
"id": "mp-1018119",
"created_at": "2022-09-04T14:44:20.196536Z",
"structure_string": "V1 Co1 Sn1\n1.0\n0.000000 2.969049 2.969049\n2.969049 0.000000 2.969049\n2.969049 2.969049 0.000000\nV Co Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-V",
"density": 7.251271317014256,
"density_atomic": 0.05731115537954264,
"volume": 52.34583005930565,
"volume_molar": 10.507798560539257,
"formula_full": "V1 Co1 Sn1",
"formula_reduced": "VCoSn",
"formula_anonymous": "ABC",
"energy": -18.83174062,
"energy_per_atom": -6.2772468733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.83174062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.161000Z",
"spacegroup": 216
}
]
}