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{
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{
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"structure_string": "Tb10 Si4 B2 O26\n1.0\n6.822199 0.000000 0.000000\n0.000000 9.290887 0.000000\n0.000000 4.595519 8.086216\nTb Si B O\n10 4 2 26\ndirect\n0.739903 0.344785 0.332486 Tb\n0.260037 0.653661 0.677613 Tb\n0.739963 0.653661 0.677613 Tb\n0.260097 0.344785 0.332486 Tb\n0.500000 0.752778 0.233532 Tb\n0.500000 0.990335 0.774012 Tb\n0.500000 0.247996 0.982561 Tb\n0.000000 0.243300 0.763593 Tb\n0.000000 0.993832 0.236809 Tb\n0.000000 0.764446 0.987765 Tb\n0.500000 0.969367 0.399461 Si\n0.000000 0.367464 0.032828 Si\n0.000000 0.599085 0.373906 Si\n0.000000 0.029332 0.598285 Si\n0.500000 0.630780 0.970336 B\n0.500000 0.409192 0.623835 B\n0.692255 0.905178 0.341461 O\n0.679803 0.740375 0.913373 O\n0.680202 0.355315 0.736138 O\n0.191772 0.092296 0.659320 O\n0.191743 0.245839 0.092154 O\n0.189337 0.654135 0.249826 O\n0.808228 0.092296 0.659320 O\n0.808257 0.245839 0.092154 O\n0.810663 0.654135 0.249826 O\n0.307745 0.905178 0.341461 O\n0.320197 0.740375 0.913373 O\n0.319798 0.355315 0.736138 O\n0.500000 0.520106 0.154128 O\n0.500000 0.344631 0.506995 O\n0.500000 0.169338 0.327993 O\n0.000000 0.485092 0.833288 O\n0.000000 0.677728 0.494081 O\n0.000000 0.828360 0.681668 O\n0.500000 0.533869 0.880566 O\n0.500000 0.595303 0.534317 O\n0.500000 0.867090 0.602157 O\n0.000000 0.471624 0.132418 O\n0.000000 0.395455 0.473147 O\n0.000000 0.133279 0.394985 O\n0.500000 0.997680 0.005871 O\n0.000000 0.999371 0.996720 O\n",
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{
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{
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{
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"structure_string": "Ce2 Al8 Pd2\n1.0\n2.136635 -7.906989 0.000000\n2.136635 7.906989 0.000000\n0.000000 0.000000 6.674908\nCe Al Pd\n2 8 2\ndirect\n0.614475 0.385525 0.250000 Ce\n0.385525 0.614475 0.750000 Ce\n0.429487 0.570513 0.250000 Al\n0.570513 0.429487 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.817617 0.182383 0.050909 Al\n0.182383 0.817617 0.949091 Al\n0.182383 0.817617 0.550909 Al\n0.817617 0.182383 0.449091 Al\n0.276453 0.723547 0.250000 Pd\n0.723547 0.276453 0.750000 Pd\n",
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{
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"structure_string": "Sr2 Si2\n1.0\n2.414988 -5.652197 0.000000\n2.414988 5.652197 0.000000\n0.000000 0.000000 4.077626\nSr Si\n2 2\ndirect\n0.361339 0.638661 0.250000 Sr\n0.638661 0.361339 0.750000 Sr\n0.063489 0.936511 0.250000 Si\n0.936511 0.063489 0.750000 Si\n",
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{
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{
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.71091389,
"band_gap": 1.0382000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.022000Z",
"spacegroup": 160
},
{
"id": "mp-10687",
"created_at": "2022-09-04T14:41:55.215393Z",
"structure_string": "Li1 Cd1 P1\n1.0\n0.000000 2.979021 2.979021\n2.979021 0.000000 2.979021\n2.979021 2.979021 0.000000\nLi Cd P\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Cd",
"P"
],
"chemical_system": "Cd-Li-P",
"density": 4.720976315834017,
"density_atomic": 0.05673754823555181,
"volume": 52.875037665448446,
"volume_molar": 10.614030650387745,
"formula_full": "Li1 Cd1 P1",
"formula_reduced": "LiCdP",
"formula_anonymous": "ABC",
"energy": -8.62520608,
"energy_per_atom": -2.875068693333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.62520608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.091000Z",
"spacegroup": 216
}
]
}