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{
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"results": [
{
"id": "mp-675554",
"created_at": "2022-09-04T14:45:13.934788Z",
"structure_string": "Nd4 Sm12 Sb12\n1.0\n9.431622 0.000000 0.000000\n0.000000 9.431622 0.000000\n0.000000 0.000000 9.431622\nNd Sm Sb\n4 12 12\ndirect\n0.071063 0.571063 0.928937 Nd\n0.928937 0.071063 0.571063 Nd\n0.428937 0.428937 0.428937 Nd\n0.571063 0.928937 0.071063 Nd\n0.820603 0.320603 0.179397 Sm\n0.928573 0.928573 0.928573 Sm\n0.820855 0.679145 0.320855 Sm\n0.179397 0.820603 0.320603 Sm\n0.179145 0.179145 0.179145 Sm\n0.320855 0.820855 0.679145 Sm\n0.071427 0.428573 0.571427 Sm\n0.320603 0.179397 0.820603 Sm\n0.679145 0.320855 0.820855 Sm\n0.679397 0.679397 0.679397 Sm\n0.571427 0.071427 0.428573 Sm\n0.428573 0.571427 0.071427 Sm\n0.748823 0.623935 0.000212 Sb\n0.876065 0.999788 0.248823 Sb\n0.000212 0.748823 0.623935 Sb\n0.123935 0.499788 0.251177 Sb\n0.251177 0.123935 0.499788 Sb\n0.248823 0.876065 0.999788 Sb\n0.999788 0.248823 0.876065 Sb\n0.376065 0.500212 0.751177 Sb\n0.499788 0.251177 0.123935 Sb\n0.623935 0.000212 0.748823 Sb\n0.751177 0.376065 0.500212 Sb\n0.500212 0.751177 0.376065 Sb\n",
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"formula_full": "Nd4 Sm12 Sb12",
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"spacegroup": 198
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{
"id": "mp-29145",
"created_at": "2022-09-04T14:45:14.046971Z",
"structure_string": "H12 N4\n1.0\n5.116347 0.000000 0.000000\n0.000000 5.116347 0.000000\n0.000000 0.000000 5.116347\nH N\n12 4\ndirect\n0.138352 0.729507 0.601755 H\n0.638352 0.770493 0.398245 H\n0.861648 0.229507 0.898245 H\n0.770493 0.398245 0.638352 H\n0.361648 0.270493 0.101755 H\n0.101755 0.361648 0.270493 H\n0.270493 0.101755 0.361648 H\n0.229507 0.898245 0.861648 H\n0.601755 0.138352 0.729507 H\n0.729507 0.601755 0.138352 H\n0.398245 0.638352 0.770493 H\n0.898245 0.861648 0.229507 H\n0.798171 0.701829 0.298171 N\n0.701829 0.298171 0.798171 N\n0.298171 0.798171 0.701829 N\n0.201829 0.201829 0.201829 N\n",
"nsites": 16,
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"elements": [
"H",
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],
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"density": 0.8446115636662197,
"density_atomic": 0.1194648131866653,
"volume": 133.93064931177514,
"volume_molar": 5.04093263896067,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"energy": -80.82159538,
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"updated_at": "2021-11-28T01:36:53.525000Z",
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{
"id": "mp-1195443",
"created_at": "2022-09-04T14:45:14.107138Z",
"structure_string": "Li4 Mn16 O32\n1.0\n8.346684 0.000000 0.000000\n0.000000 8.346684 0.000000\n0.000000 0.000000 8.346684\nLi Mn O\n4 16 32\ndirect\n0.495149 0.995149 0.504851 Li\n0.995149 0.504851 0.495149 Li\n0.504851 0.495149 0.995149 Li\n0.004851 0.004851 0.004851 Li\n0.876667 0.376667 0.123333 Mn\n0.376667 0.123333 0.876667 Mn\n0.123333 0.876667 0.376667 Mn\n0.623333 0.623333 0.623333 Mn\n0.628254 0.873658 0.881092 Mn\n0.118908 0.128254 0.626342 Mn\n0.373658 0.618908 0.371746 Mn\n0.128254 0.626342 0.118908 Mn\n0.618908 0.371746 0.373658 Mn\n0.873658 0.881092 0.628254 Mn\n0.371746 0.373658 0.618908 Mn\n0.881092 0.628254 0.873658 Mn\n0.626342 0.118908 0.128254 Mn\n0.871746 0.126342 0.381092 Mn\n0.381092 0.871746 0.126342 Mn\n0.126342 0.381092 0.871746 Mn\n0.114212 0.614212 0.885788 O\n0.614212 0.885788 0.114212 O\n0.885788 0.114212 0.614212 O\n0.385788 0.385788 0.385788 O\n0.366677 0.853898 0.360359 O\n0.639641 0.866677 0.646102 O\n0.353898 0.139641 0.633323 O\n0.866677 0.646102 0.639641 O\n0.139641 0.633323 0.353898 O\n0.853898 0.360359 0.366677 O\n0.633323 0.353898 0.139641 O\n0.360359 0.366677 0.853898 O\n0.646102 0.639641 0.866677 O\n0.133323 0.146102 0.860359 O\n0.860359 0.133323 0.146102 O\n0.146102 0.860359 0.133323 O\n0.636057 0.136057 0.363943 O\n0.136057 0.363943 0.636057 O\n0.363943 0.636057 0.136057 O\n0.863943 0.863943 0.863943 O\n0.103740 0.897579 0.618012 O\n0.381988 0.603740 0.602421 O\n0.397579 0.881988 0.896260 O\n0.603740 0.602421 0.381988 O\n0.881988 0.896260 0.397579 O\n0.897579 0.618012 0.103740 O\n0.896260 0.397579 0.881988 O\n0.618012 0.103740 0.897579 O\n0.602421 0.381988 0.603740 O\n0.396260 0.102421 0.118012 O\n0.118012 0.396260 0.102421 O\n0.102421 0.118012 0.396260 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-O",
"density": 4.051484058255047,
"density_atomic": 0.0894255105915267,
"volume": 581.4895509797306,
"volume_molar": 6.734253704748333,
"formula_full": "Li4 Mn16 O32",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy": -411.99665413,
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"updated_at": "2021-11-28T01:36:55.392000Z",
"spacegroup": 198
},
{
"id": "mp-1189541",
"created_at": "2022-09-04T14:45:16.197168Z",
"structure_string": "Na4 Br4 O12\n1.0\n7.779176 0.000000 0.000000\n0.000000 7.779176 0.000000\n0.000000 0.000000 7.779176\nNa Br O\n4 4 12\ndirect\n0.498730 0.998730 0.501270 Na\n0.998730 0.501270 0.498730 Na\n0.501270 0.498730 0.998730 Na\n0.001270 0.001270 0.001270 Na\n0.050960 0.550960 0.949040 Br\n0.550960 0.949040 0.050960 Br\n0.949040 0.050960 0.550960 Br\n0.449040 0.449040 0.449040 Br\n0.234785 0.452193 0.891125 O\n0.108875 0.734785 0.047807 O\n0.952193 0.608875 0.765215 O\n0.734785 0.047807 0.108875 O\n0.608875 0.765215 0.952193 O\n0.452193 0.891125 0.234785 O\n0.765215 0.952193 0.608875 O\n0.891125 0.234785 0.452193 O\n0.047807 0.108875 0.734785 O\n0.265215 0.547807 0.391125 O\n0.391125 0.265215 0.547807 O\n0.547807 0.391125 0.265215 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Br-Na-O",
"density": 2.128993930994647,
"density_atomic": 0.04248437208170747,
"volume": 470.7613416419403,
"volume_molar": 14.174955318671072,
"formula_full": "Na4 Br4 O12",
"formula_reduced": "NaBrO3",
"formula_anonymous": "ABC3",
"energy": -88.62755522,
"energy_per_atom": -4.431377761,
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"updated_at": "2021-11-28T01:36:56.128000Z",
"spacegroup": 198
},
{
"id": "mp-1095507",
"created_at": "2022-09-04T14:45:18.896527Z",
"structure_string": "Sb4 Ir4 Se4\n1.0\n6.270902 0.000000 0.000000\n0.000000 6.270902 0.000000\n0.000000 0.000000 6.270902\nSb Ir Se\n4 4 4\ndirect\n0.875484 0.375484 0.124516 Sb\n0.375484 0.124516 0.875484 Sb\n0.124516 0.875484 0.375484 Sb\n0.624516 0.624516 0.624516 Sb\n0.504783 0.004783 0.495217 Ir\n0.004783 0.495217 0.504783 Ir\n0.495217 0.504783 0.004783 Ir\n0.995217 0.995217 0.995217 Ir\n0.120568 0.620568 0.879432 Se\n0.620568 0.879432 0.120568 Se\n0.879432 0.120568 0.620568 Se\n0.379432 0.379432 0.379432 Se\n",
"nsites": 12,
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"elements": [
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"Ir",
"Se"
],
"chemical_system": "Ir-Sb-Se",
"density": 10.58380848117413,
"density_atomic": 0.04866214009309785,
"volume": 246.5982790120252,
"volume_molar": 12.375412894868079,
"formula_full": "Sb4 Ir4 Se4",
"formula_reduced": "SbIrSe",
"formula_anonymous": "ABC",
"energy": -74.05614021000001,
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"updated_at": "2021-11-28T01:36:55.268000Z",
"spacegroup": 198
},
{
"id": "mp-753795",
"created_at": "2022-09-04T14:45:18.115549Z",
"structure_string": "Li12 Bi4 O12\n1.0\n7.164999 0.000000 0.000000\n0.000000 7.164999 0.000000\n0.000000 0.000000 7.164999\nLi Bi O\n12 4 12\ndirect\n0.976675 0.976675 0.976675 Li\n0.246446 0.253554 0.746446 Li\n0.244526 0.744526 0.755474 Li\n0.255474 0.255474 0.255474 Li\n0.253554 0.746446 0.246446 Li\n0.523325 0.023325 0.476675 Li\n0.476675 0.523325 0.023325 Li\n0.746446 0.246446 0.253554 Li\n0.744526 0.755474 0.244526 Li\n0.755474 0.244526 0.744526 Li\n0.753554 0.753554 0.753554 Li\n0.023325 0.476675 0.523325 Li\n0.034343 0.965657 0.465657 Bi\n0.465657 0.034343 0.965657 Bi\n0.534343 0.534343 0.534343 Bi\n0.965657 0.465657 0.034343 Bi\n0.997345 0.252206 0.381909 O\n0.118091 0.002655 0.752206 O\n0.252206 0.381909 0.997345 O\n0.247794 0.618091 0.497345 O\n0.381909 0.997345 0.252206 O\n0.502655 0.747794 0.881909 O\n0.497345 0.247794 0.618091 O\n0.618091 0.497345 0.247794 O\n0.752206 0.118091 0.002655 O\n0.747794 0.881909 0.502655 O\n0.881909 0.502655 0.747794 O\n0.002655 0.752206 0.118091 O\n",
"nsites": 28,
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"elements": [
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"volume": 367.8310631133465,
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"formula_full": "Li12 Bi4 O12",
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"updated_at": "2021-11-28T01:36:58.024000Z",
"spacegroup": 198
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{
"id": "mp-1228724",
"created_at": "2022-09-04T14:45:21.537501Z",
"structure_string": "As4 Rh4 Se4\n1.0\n6.012894 0.000000 0.000000\n0.000000 6.012894 0.000000\n0.000000 0.000000 6.012894\nAs Rh Se\n4 4 4\ndirect\n0.119535 0.880465 0.380465 As\n0.880465 0.380465 0.119535 As\n0.380465 0.119535 0.880465 As\n0.619535 0.619535 0.619535 As\n0.504919 0.495081 0.995081 Rh\n0.495081 0.995081 0.504919 Rh\n0.995081 0.504919 0.495081 Rh\n0.004919 0.004919 0.004919 Rh\n0.882425 0.117575 0.617575 Se\n0.117575 0.617575 0.882425 Se\n0.617575 0.882425 0.117575 Se\n0.382425 0.382425 0.382425 Se\n",
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],
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"density": 7.845699100045059,
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"volume": 217.39554673794302,
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"formula_full": "As4 Rh4 Se4",
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"updated_at": "2021-11-28T01:37:09.080000Z",
"spacegroup": 198
},
{
"id": "mp-29505",
"created_at": "2022-09-04T14:45:22.504465Z",
"structure_string": "Cs12 Bi4 O12\n1.0\n9.445779 0.000000 0.000000\n0.000000 9.445779 0.000000\n0.000000 0.000000 9.445779\nCs Bi O\n12 4 12\ndirect\n0.027700 0.027700 0.027700 Cs\n0.472300 0.972300 0.527700 Cs\n0.527700 0.472300 0.972300 Cs\n0.972300 0.527700 0.472300 Cs\n0.968955 0.468955 0.031045 Cs\n0.531045 0.531045 0.531045 Cs\n0.235480 0.264520 0.735480 Cs\n0.264520 0.735480 0.235480 Cs\n0.735480 0.235480 0.264520 Cs\n0.764520 0.764520 0.764520 Cs\n0.468955 0.031045 0.968955 Cs\n0.031045 0.968955 0.468955 Cs\n0.744620 0.755380 0.244620 Bi\n0.755380 0.244620 0.744620 Bi\n0.244620 0.744620 0.755380 Bi\n0.255380 0.255380 0.255380 Bi\n0.536642 0.245306 0.705629 O\n0.036642 0.254694 0.294371 O\n0.463358 0.745306 0.794371 O\n0.254694 0.294371 0.036642 O\n0.245306 0.705629 0.536642 O\n0.705629 0.536642 0.245306 O\n0.745306 0.794371 0.463358 O\n0.754694 0.205629 0.963358 O\n0.205629 0.963358 0.754694 O\n0.963358 0.754694 0.205629 O\n0.794371 0.463358 0.745306 O\n0.294371 0.036642 0.254694 O\n",
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"volume": 842.7782924747376,
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"formula_full": "Cs12 Bi4 O12",
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"energy": -130.85870333,
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"updated_at": "2021-11-28T01:36:55.708000Z",
"spacegroup": 198
},
{
"id": "mp-8594",
"created_at": "2022-09-04T14:45:23.706663Z",
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