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{
"id": "mp-1211608",
"created_at": "2022-09-04T14:41:11.529063Z",
"structure_string": "K2 C2 N4\n1.0\n-3.170850 3.170850 3.539411\n3.170850 -3.170850 3.539411\n3.170850 3.170850 -3.539411\nK C N\n2 2 4\ndirect\n0.750000 0.750000 0.000000 K\n0.250000 0.250000 0.000000 K\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.138005 0.638005 0.776010 N\n0.861995 0.361995 0.223990 N\n0.638005 0.861995 0.500000 N\n0.361995 0.138005 0.500000 N\n",
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"elements": [
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"C",
"N"
],
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"volume": 142.3450545640138,
"volume_molar": 10.715274438429645,
"formula_full": "K2 C2 N4",
"formula_reduced": "KCN2",
"formula_anonymous": "ABC2",
"energy": -54.87831904,
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"updated_at": "2021-11-28T01:35:15.040000Z",
"spacegroup": 140
},
{
"id": "mp-1419",
"created_at": "2022-09-04T14:45:31.071644Z",
"structure_string": "S10 N12\n1.0\n6.001448 4.797837 0.000000\n-6.001448 4.797837 0.000000\n0.000000 2.101695 7.634054\nS N\n10 12\ndirect\n0.284176 0.447595 0.822687 S\n0.552405 0.715824 0.677313 S\n0.715824 0.552405 0.177313 S\n0.447595 0.284176 0.322687 S\n0.246829 0.675799 0.514954 S\n0.324201 0.753171 0.985046 S\n0.753171 0.324201 0.485046 S\n0.675799 0.246829 0.014954 S\n0.093218 0.906782 0.750000 S\n0.906782 0.093218 0.250000 S\n0.463765 0.756684 0.508353 N\n0.243316 0.536235 0.991647 N\n0.536235 0.243316 0.491647 N\n0.756684 0.463765 0.008353 N\n0.182021 0.486329 0.663077 N\n0.513671 0.817979 0.836923 N\n0.817979 0.513671 0.336923 N\n0.486329 0.182021 0.163077 N\n0.131659 0.830107 0.582156 N\n0.169893 0.868341 0.917844 N\n0.830107 0.131659 0.082156 N\n0.868341 0.169893 0.417844 N\n",
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},
{
"id": "mp-1197282",
"created_at": "2022-09-04T14:46:55.244825Z",
"structure_string": "Cu8 Sn24 H216 C72 N8 Cl8\n1.0\n16.324049 0.000000 -0.000000\n-0.000000 16.324049 -0.000000\n-0.000000 -0.000000 16.324049\nCu Sn H C N Cl\n8 24 216 72 8 8\ndirect\n0.231179 0.731179 0.768821 Cu\n0.731179 0.768821 0.231179 Cu\n0.768821 0.231179 0.731179 Cu\n0.268821 0.268821 0.268821 Cu\n0.729906 0.729906 0.729906 Cu\n0.270094 0.229906 0.770094 Cu\n0.229906 0.770094 0.270094 Cu\n0.770094 0.270094 0.229906 Cu\n0.168918 0.544738 0.777463 Sn\n0.222537 0.668918 0.955262 Sn\n0.044738 0.722537 0.831082 Sn\n0.668918 0.955262 0.222537 Sn\n0.722537 0.831082 0.044738 Sn\n0.544738 0.777463 0.168918 Sn\n0.831082 0.044738 0.722537 Sn\n0.777463 0.168918 0.544738 Sn\n0.955262 0.222537 0.668918 Sn\n0.331082 0.455262 0.277463 Sn\n0.277463 0.331082 0.455262 Sn\n0.455262 0.277463 0.331082 Sn\n0.542171 0.718630 0.671095 Sn\n0.328905 0.042171 0.781370 Sn\n0.218630 0.828905 0.457829 Sn\n0.042171 0.781370 0.328905 Sn\n0.828905 0.457829 0.218630 Sn\n0.718630 0.671095 0.542171 Sn\n0.457829 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"nsites": 336,
"nelements": 6,
"elements": [
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"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Cu-H-N-Sn",
"density": 1.84592136413982,
"density_atomic": 0.07724237312902389,
"volume": 4349.944031869053,
"volume_molar": 7.796421207749216,
"formula_full": "Cu8 Sn24 H216 C72 N8 Cl8",
"formula_reduced": "CuSn3H27C9NCl",
"formula_anonymous": "ABCD3E9F27",
"energy": -1653.225451,
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"updated_at": "2021-11-28T01:37:51.498000Z",
"spacegroup": 198
},
{
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