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"structure_string": "Tb4 Co4 Sn4\n1.0\n4.580956 0.000000 0.000000\n0.000000 7.290480 0.000000\n0.000000 0.000000 7.394202\nTb Co Sn\n4 4 4\ndirect\n0.750000 0.300513 0.526360 Tb\n0.250000 0.800513 0.973640 Tb\n0.750000 0.199487 0.026360 Tb\n0.250000 0.699487 0.473640 Tb\n0.750000 0.939343 0.349662 Co\n0.750000 0.560657 0.849662 Co\n0.250000 0.439343 0.150338 Co\n0.250000 0.060657 0.650338 Co\n0.250000 0.392256 0.797905 Sn\n0.750000 0.892256 0.702095 Sn\n0.250000 0.107744 0.297905 Sn\n0.750000 0.607744 0.202095 Sn\n",
"nsites": 12,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Sn-Tb",
"density": 9.052719418871545,
"density_atomic": 0.04859344531444821,
"volume": 246.94688599147466,
"volume_molar": 12.392907564036104,
"formula_full": "Tb4 Co4 Sn4",
"formula_reduced": "TbCoSn",
"formula_anonymous": "ABC",
"energy": -68.85379688,
"energy_per_atom": -5.737816406666667,
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"formation_energy": null,
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"energy_uncorrected": -68.85379688,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:53.930000Z",
"spacegroup": 62
},
{
"id": "mp-1226773",
"created_at": "2022-09-04T14:48:16.565666Z",
"structure_string": "Cd1 Ag2 Sn1 S4\n1.0\n4.142784 0.000000 0.000000\n0.000000 6.828983 0.000000\n0.000000 0.015098 7.245203\nCd Ag Sn S\n1 2 1 4\ndirect\n0.000000 0.118697 0.169264 Cd\n0.500000 0.123759 0.658033 Ag\n0.500000 0.642640 0.328746 Ag\n0.000000 0.637483 0.848645 Sn\n0.500000 0.506710 0.677457 S\n0.000000 0.503776 0.157476 S\n0.500000 0.011414 0.331267 S\n0.000000 0.990720 0.829111 S\n",
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"elements": [
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],
"chemical_system": "Ag-Cd-S-Sn",
"density": 4.659150342317154,
"density_atomic": 0.039029330975737964,
"volume": 204.97404900363492,
"volume_molar": 15.429782190587842,
"formula_full": "Cd1 Ag2 Sn1 S4",
"formula_reduced": "CdAg2SnS4",
"formula_anonymous": "ABC2D4",
"energy": -31.47121023,
"energy_per_atom": -3.93390127875,
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"is_stable": null,
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"updated_at": "2021-11-28T01:38:44.002000Z",
"spacegroup": 6
},
{
"id": "mp-1105662",
"created_at": "2022-09-04T14:48:14.816977Z",
"structure_string": "Sm4 Ge8 Ir4\n1.0\n-2.174565 4.496688 8.124273\n2.174565 -4.496688 8.124273\n2.174565 4.496688 -8.124273\nSm Ge Ir\n4 8 4\ndirect\n0.260319 0.000000 0.260319 Sm\n0.739681 0.000000 0.739681 Sm\n0.293709 0.793709 0.500000 Sm\n0.706291 0.206291 0.500000 Sm\n0.921561 0.421561 0.500000 Ge\n0.078439 0.578439 0.500000 Ge\n0.422654 0.422654 0.000000 Ge\n0.577346 0.577346 0.000000 Ge\n0.046216 0.199686 0.846530 Ge\n0.953784 0.800314 0.153470 Ge\n0.353155 0.199686 0.153470 Ge\n0.646845 0.800314 0.846530 Ge\n0.102435 0.353669 0.748766 Ir\n0.897565 0.646330 0.251234 Ir\n0.604904 0.353669 0.251234 Ir\n0.395096 0.646331 0.748766 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Sm",
"density": 10.197459300424171,
"density_atomic": 0.05035125893263613,
"volume": 317.7676256596892,
"volume_molar": 11.960258566835225,
"formula_full": "Sm4 Ge8 Ir4",
"formula_reduced": "SmGe2Ir",
"formula_anonymous": "ABC2",
"energy": -104.13984242,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -104.13984242,
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"is_magnetic": false,
"total_magnetization": 6.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:45.479000Z",
"spacegroup": 71
}
]
}