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{
"id": "jvasp-105256",
"created_at": "2022-09-04T14:36:56.030423Z",
"updated_at": "2022-09-04T14:36:56.030441Z",
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{
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"structure_string": "Sn1 Pb4 S5\n1.0\n4.156377 -0.022511 -14.633016\n-0.102266 4.155180 -14.633016\n0.022083 0.022511 15.211842\nSn Pb S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.400686 0.400686 -0.000000 Pb\n0.800325 0.800325 -0.000001 Pb\n0.199675 0.199675 -0.000000 Pb\n0.599314 0.599314 -0.000000 Pb\n0.500000 0.500000 -0.000000 S\n0.700323 0.700323 -0.000000 S\n0.098084 0.098085 -0.000000 S\n0.901915 0.901916 -0.000001 S\n0.299677 0.299677 -0.000000 S\n",
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{
"id": "jvasp-101117",
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"updated_at": "2022-09-04T14:37:00.829566Z",
"structure_string": "Sn1 Pb4 Se5\n1.0\n4.369821 0.022047 17.470259\n2.170379 3.792793 17.470259\n0.037797 0.022047 18.008438\nSn Pb Se\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.600887 0.600887 0.600886 Pb\n0.200292 0.200292 0.200292 Pb\n0.799708 0.799709 0.799708 Pb\n0.399113 0.399114 0.399113 Pb\n0.698619 0.698620 0.698619 Se\n0.500000 0.500000 0.500000 Se\n0.099389 0.099389 0.099389 Se\n0.301381 0.301381 0.301381 Se\n0.900611 0.900612 0.900611 Se\n",
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"elements": [
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"density": 7.574535457560253,
"density_atomic": 0.03398240252460489,
"volume": 294.2699531841376,
"volume_molar": 17.721350795134867,
"formula_full": "Sn1 Pb4 Se5",
"formula_reduced": "SnPb4Se5",
"formula_anonymous": "AB4C5",
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"spacegroup": 166
},
{
"id": "jvasp-12342",
"created_at": "2022-09-04T14:38:13.770757Z",
"updated_at": "2022-09-04T14:38:13.770775Z",
"structure_string": "Sn2 Pb2 F8\n1.0\n4.390267 -0.000000 0.000000\n0.000000 4.390267 -0.000000\n0.000000 -0.000000 10.191161\nSn Pb F\n2 2 8\ndirect\n0.500000 0.000000 0.128784 Sn\n0.000000 0.500000 0.871216 Sn\n0.500000 0.000000 0.621095 Pb\n0.000000 0.500000 0.378905 Pb\n0.500000 0.000000 0.336033 F\n0.000000 0.500000 0.663967 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.500000 0.500000 0.191592 F\n0.000000 0.000000 0.191592 F\n0.000000 0.000000 0.808408 F\n0.500000 0.500000 0.808408 F\n",
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"elements": [
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"Pb",
"F"
],
"chemical_system": "F-Pb-Sn",
"density": 6.795094082174539,
"density_atomic": 0.061090786573451045,
"volume": 196.4289653657035,
"volume_molar": 9.85769065644526,
"formula_full": "Sn2 Pb2 F8",
"formula_reduced": "SnPbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-100447",
"created_at": "2022-09-04T14:36:40.814591Z",
"updated_at": "2022-09-04T14:36:40.814610Z",
"structure_string": "Sn2 Pb2 N4\n1.0\n4.033410 0.000000 -0.000000\n0.000000 4.033410 0.000000\n0.000000 0.000000 8.195612\nSn Pb N\n2 2 4\ndirect\n0.750000 0.750000 0.605332 Sn\n0.250000 0.250000 0.394668 Sn\n0.750000 0.750000 0.134988 Pb\n0.250000 0.250000 0.865012 Pb\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.857110 N\n0.250000 0.250000 0.142889 N\n",
"nsites": 8,
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"elements": [
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"N"
],
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"density": 8.815810362199633,
"density_atomic": 0.06000174154405114,
"volume": 133.32946334777108,
"volume_molar": 10.036609946694231,
"formula_full": "Sn2 Pb2 N4",
"formula_reduced": "SnPbN2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-116398",
"created_at": "2022-09-04T14:38:31.116187Z",
"updated_at": "2022-09-04T14:38:31.116220Z",
"structure_string": "Sn1 Pb1 O2\n1.0\n3.452078 0.000000 0.000000\n0.000000 3.452078 0.000000\n0.000000 -0.000000 6.035748\nSn Pb O\n1 1 2\ndirect\n0.500001 0.500001 0.529105 Sn\n0.000000 0.000000 -0.008837 Pb\n0.000000 0.000000 0.610660 O\n0.500001 0.500001 0.879073 O\n",
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"volume": 71.92705839484047,
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"formula_full": "Sn1 Pb1 O2",
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"spacegroup": 99
},
{
"id": "jvasp-89103",
"created_at": "2022-09-04T14:36:14.396330Z",
"updated_at": "2022-09-04T14:36:14.396358Z",
"structure_string": "Sn4 Pb8 O16\n1.0\n6.442159 0.000000 0.000000\n0.000000 8.806419 0.000000\n0.000000 -0.000000 8.851024\nSn Pb O\n4 8 16\ndirect\n0.750053 0.000000 0.500000 Sn\n0.249947 0.500000 0.000000 Sn\n0.249947 0.000000 0.500000 Sn\n0.750053 0.500000 0.000000 Sn\n0.500000 0.359550 0.339548 Pb\n0.500000 0.859550 0.160452 Pb\n0.500000 0.140450 0.839548 Pb\n0.000000 0.840814 0.857896 Pb\n0.000000 0.159187 0.142103 Pb\n0.000000 0.340814 0.642103 Pb\n0.000000 0.659187 0.357897 Pb\n0.500000 0.640450 0.660452 Pb\n0.249978 0.666262 0.833891 O\n0.249978 0.333738 0.166108 O\n0.500000 0.096119 0.375031 O\n0.249978 0.166262 0.666108 O\n0.249978 0.833738 0.333892 O\n0.750022 0.666262 0.833891 O\n0.750022 0.333738 0.166108 O\n0.000000 0.374188 0.904486 O\n0.000000 0.625812 0.095514 O\n0.000000 0.874188 0.595513 O\n0.000000 0.125812 0.404486 O\n0.500000 0.403881 0.875031 O\n0.500000 0.596119 0.124969 O\n0.500000 0.903881 0.624968 O\n0.750022 0.833738 0.333892 O\n0.750022 0.166262 0.666108 O\n",
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"density_atomic": 0.055761407644813195,
"volume": 502.13940398264856,
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"formula_full": "Sn4 Pb8 O16",
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"spacegroup": 135
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{
"id": "jvasp-37338",
"created_at": "2022-09-04T14:38:01.163727Z",
"updated_at": "2022-09-04T14:38:01.163755Z",
"structure_string": "Sn1 Pb1 O3\n1.0\n4.112721 -0.000000 -0.000000\n-0.000000 4.112721 -0.000000\n0.000000 0.000000 4.112721\nSn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Sn1 Pb1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-108076",
"created_at": "2022-09-04T14:38:18.384924Z",
"updated_at": "2022-09-04T14:38:18.384944Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n4.124458 0.000000 0.000000\n0.000000 4.333286 0.000000\n0.000000 0.000000 11.630510\nSn Pb S\n2 2 4\ndirect\n0.500000 0.381892 0.373543 Sn\n0.500000 0.618109 0.873543 Sn\n-0.000000 0.127419 0.617048 Pb\n-0.000000 0.872582 0.117048 Pb\n-0.000000 0.215881 0.858371 S\n-0.000000 0.784120 0.358371 S\n0.500000 0.311956 0.151039 S\n0.500000 0.688045 0.651039 S\n",
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"formula_full": "Sn2 Pb2 S4",
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},
{
"id": "jvasp-91678",
"created_at": "2022-09-04T14:35:57.981257Z",
"updated_at": "2022-09-04T14:35:57.981277Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n0.000000 3.180053 0.000000\n0.000000 0.000000 3.841111\n19.046626 0.000000 0.000000\nSn Pb S\n2 2 4\ndirect\n0.500000 0.000218 0.412612 Sn\n0.500000 -0.000218 0.912612 Sn\n0.500000 0.500554 0.584744 Pb\n0.500000 0.499445 0.084744 Pb\n0.500000 0.500205 0.325520 S\n0.500000 0.499795 0.825520 S\n0.500000 0.000536 0.677624 S\n0.500000 -0.000536 0.177624 S\n",
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},
{
"id": "jvasp-106332",
"created_at": "2022-09-04T14:37:48.699404Z",
"updated_at": "2022-09-04T14:37:48.699423Z",
"structure_string": "Sn1 Pb1 S2\n1.0\n4.007153 -0.000629 6.045707\n1.821201 3.569384 6.045707\n-0.001027 -0.000629 7.253126\nSn Pb S\n1 1 2\ndirect\n0.500000 0.499999 0.500002 Sn\n0.000000 0.000000 0.000000 Pb\n0.247560 0.247560 0.247561 S\n0.752439 0.752438 0.752442 S\n",
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},
{
"id": "jvasp-99931",
"created_at": "2022-09-04T14:36:38.782803Z",
"updated_at": "2022-09-04T14:36:38.782823Z",
"structure_string": "Sn1 Pb1 Se2\n1.0\n4.149725 0.001558 6.257302\n1.887464 3.695633 6.257302\n0.002543 0.001558 7.508264\nSn Pb Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.247703 0.247703 0.247703 Se\n0.752296 0.752297 0.752296 Se\n",
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}
]
}