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{
"id": "mp-1244937",
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{
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{
"id": "mp-1209313",
"created_at": "2022-09-04T14:43:08.882178Z",
"structure_string": "Pr4 Sn10\n1.0\n2.332020 -17.825622 0.000000\n2.332020 17.825622 0.000000\n0.000000 0.000000 4.705536\nPr Sn\n4 10\ndirect\n0.932254 0.067746 0.500000 Pr\n0.067746 0.932254 0.500000 Pr\n0.797726 0.202274 0.500000 Pr\n0.202274 0.797726 0.500000 Pr\n0.637028 0.362972 0.500000 Sn\n0.362972 0.637028 0.500000 Sn\n0.721252 0.278748 0.000000 Sn\n0.278748 0.721252 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.570834 0.429166 0.000000 Sn\n0.429166 0.570834 0.000000 Sn\n0.862499 0.137501 0.000000 Sn\n0.137501 0.862499 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Pr4 Sn10",
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{
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{
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{
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{
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"energy_uncorrected": -46.86177671,
"band_gap": 7.4507,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.631000Z",
"spacegroup": 10
},
{
"id": "mp-1074307",
"created_at": "2022-09-04T14:43:11.642373Z",
"structure_string": "Mg8 Si6\n1.0\n4.685725 0.000000 0.000000\n1.000344 7.438743 0.000000\n1.117972 0.432456 7.521714\nMg Si\n8 6\ndirect\n0.052274 0.026352 0.294450 Mg\n0.543350 0.793220 0.532504 Mg\n0.315853 0.451989 0.769979 Mg\n0.811541 0.259963 0.977006 Mg\n0.188459 0.740037 0.022994 Mg\n0.456650 0.206780 0.467496 Mg\n0.684147 0.548011 0.230021 Mg\n0.947726 0.973648 0.705550 Mg\n0.386304 0.075401 0.870677 Si\n0.613696 0.924599 0.129323 Si\n0.762904 0.629849 0.832628 Si\n0.884305 0.375206 0.577570 Si\n0.115695 0.624794 0.422430 Si\n0.237096 0.370151 0.167372 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.298827164657397,
"density_atomic": 0.053399214450818036,
"volume": 262.17614142796685,
"volume_molar": 11.277583054234885,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.95036638,
"energy_per_atom": -3.139311884285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.37636638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0187212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.469000Z",
"spacegroup": 2
}
]
}