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{
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{
"id": "mp-1213770",
"created_at": "2022-09-04T14:45:42.888874Z",
"structure_string": "Co1 H6 Cl2\n1.0\n3.145518 4.029564 0.000000\n-3.145518 4.029564 0.000000\n0.000000 1.100157 5.266632\nCo H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.056804 0.187513 0.726983 H\n0.943196 0.812487 0.273017 H\n0.812487 0.943196 0.273017 H\n0.187513 0.056804 0.726983 H\n0.452926 0.452926 0.518935 H\n0.547074 0.547074 0.481065 H\n0.785933 0.785933 0.821768 Cl\n0.214067 0.214067 0.178232 Cl\n",
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{
"id": "mp-1112619",
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"structure_string": "Cs2 As1 Au1 Cl6\n1.0\n0.000000 5.269166 5.269166\n5.269166 0.000000 5.269166\n5.269166 5.269166 0.000000\nCs As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.758762 0.241238 0.241238 Cl\n0.241238 0.241238 0.758762 Cl\n0.241238 0.758762 0.758762 Cl\n0.241238 0.758762 0.241238 Cl\n0.758762 0.241238 0.758762 Cl\n0.758762 0.758762 0.241238 Cl\n",
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"volume": 292.58741240072055,
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"formula_full": "Cs2 As1 Au1 Cl6",
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"spacegroup": 225
},
{
"id": "mp-862361",
"created_at": "2022-09-04T14:43:53.026395Z",
"structure_string": "Sc2 Ni1 Os1\n1.0\n0.000000 3.199954 3.199954\n3.199954 0.000000 3.199954\n3.199954 3.199954 0.000000\nSc Ni Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"density": 8.58571459248901,
"density_atomic": 0.061037788466789145,
"volume": 65.53317380062701,
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"formula_full": "Sc2 Ni1 Os1",
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"updated_at": "2021-11-28T01:36:23.353000Z",
"spacegroup": 225
},
{
"id": "mp-1077469",
"created_at": "2022-09-04T14:42:06.891239Z",
"structure_string": "Li3 Gd1 Bi2\n1.0\n2.347671 -4.066285 0.000000\n2.347671 4.066285 0.000000\n0.000000 0.000000 7.366530\nLi Gd Bi\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.649943 Li\n0.333333 0.666667 0.350057 Li\n0.000000 0.000000 0.000000 Gd\n0.666667 0.333333 0.247845 Bi\n0.333333 0.666667 0.752155 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Bi-Gd-Li",
"density": 7.037071743547766,
"density_atomic": 0.04266023496570994,
"volume": 140.64620142910059,
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"formula_full": "Li3 Gd1 Bi2",
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"updated_at": "2021-11-28T01:35:31.160000Z",
"spacegroup": 164
},
{
"id": "mp-1076933",
"created_at": "2022-09-04T14:41:08.970425Z",
"structure_string": "Gd1 Al3 Cu1\n1.0\n-2.077348 2.077348 5.305334\n2.077348 -2.077348 5.305334\n2.077348 2.077348 -5.305334\nGd Al Cu\n1 3 1\ndirect\n0.000043 0.000043 0.000000 Gd\n0.407802 0.407802 0.000000 Al\n0.249538 0.749538 0.500000 Al\n0.749538 0.249538 0.500000 Al\n0.629078 0.629078 0.000000 Cu\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Al-Cu-Gd",
"density": 5.471313949383582,
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"volume": 91.57801675268361,
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"formula_full": "Gd1 Al3 Cu1",
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"updated_at": "2021-11-28T01:35:12.632000Z",
"spacegroup": 107
},
{
"id": "mp-1188137",
"created_at": "2022-09-04T14:42:02.722367Z",
"structure_string": "Cd4 Hg4 S4 Br4\n1.0\n4.635181 -9.352314 0.000000\n4.635181 9.352314 0.000000\n0.000000 0.000000 5.583976\nCd Hg S Br\n4 4 4 4\ndirect\n0.578341 0.851262 0.000000 Cd\n0.421659 0.148738 0.000000 Cd\n0.851262 0.578341 0.000000 Cd\n0.148738 0.421659 0.000000 Cd\n0.731119 0.731119 0.500000 Hg\n0.268881 0.268881 0.500000 Hg\n0.855075 0.144925 0.500000 Hg\n0.144925 0.855075 0.500000 Hg\n0.611215 0.868415 0.500000 S\n0.388785 0.131585 0.500000 S\n0.868415 0.611215 0.500000 S\n0.131585 0.388785 0.500000 S\n0.757643 0.242357 0.000000 Br\n0.242357 0.757643 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"S",
"Br"
],
"chemical_system": "Br-Cd-Hg-S",
"density": 5.830530153221421,
"density_atomic": 0.03304917834224328,
"volume": 484.1270132137865,
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"formula_full": "Cd4 Hg4 S4 Br4",
"formula_reduced": "CdHgSBr",
"formula_anonymous": "ABCD",
"energy": -35.80681343,
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"spacegroup": 65
},
{
"id": "mp-1181699",
"created_at": "2022-09-04T14:42:16.033388Z",
"structure_string": "Cl2 O6\n1.0\n3.917500 3.360905 0.000000\n-3.917500 3.360905 0.000000\n0.000000 2.417396 6.047111\nCl O\n2 6\ndirect\n0.420828 0.156858 0.578438 Cl\n0.156858 0.420828 0.078438 Cl\n0.728537 0.131656 0.527796 O\n0.131656 0.728537 0.027796 O\n0.941984 0.549272 0.640450 O\n0.549272 0.941984 0.140450 O\n0.739970 0.627496 0.724316 O\n0.627496 0.739970 0.224316 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.7404778516596824,
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"volume": 159.23670344038993,
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"formula_full": "Cl2 O6",
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"updated_at": "2021-11-28T01:35:45.955000Z",
"spacegroup": 9
},
{
"id": "mp-1227733",
"created_at": "2022-09-04T14:47:40.971570Z",
"structure_string": "Ba1 Sn1 F4\n1.0\n7.088034 -2.162007 0.000000\n7.088034 2.162007 0.000000\n6.428574 0.000000 3.686181\nBa Sn F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.620101 0.620101 0.620101 F\n0.130005 0.130005 0.130005 F\n0.869995 0.869995 0.869995 F\n0.379899 0.379899 0.379899 F\n",
"nsites": 6,
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],
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"density": 4.880200719451153,
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"volume": 112.97687032912552,
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"formula_full": "Ba1 Sn1 F4",
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"formula_anonymous": "ABC4",
"energy": -33.50387368,
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"updated_at": "2021-11-28T01:38:16.021000Z",
"spacegroup": 166
},
{
"id": "mp-22374",
"created_at": "2022-09-04T14:42:28.763894Z",
"structure_string": "U1 Cu2 Si2\n1.0\n-1.969833 1.969833 5.048292\n1.969833 -1.969833 5.048292\n1.969833 1.969833 -5.048292\nU Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.616549 0.616549 0.000000 Si\n0.383451 0.383451 0.000000 Si\n",
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{
"id": "mp-1111118",
"created_at": "2022-09-04T14:46:08.426198Z",
"structure_string": "Na2 In1 Cu1 Cl6\n1.0\n0.000000 5.027654 5.027654\n5.027654 0.000000 5.027654\n5.027654 5.027654 0.000000\nNa In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.746126 0.253874 0.253874 Cl\n0.253874 0.253874 0.746126 Cl\n0.253874 0.746126 0.746126 Cl\n0.253874 0.746126 0.253874 Cl\n0.746126 0.253874 0.746126 Cl\n0.746126 0.746126 0.253874 Cl\n",
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"volume": 254.17108460792545,
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{
"id": "mp-2129",
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"structure_string": "Nd2 Ge4\n1.0\n-2.135183 2.135183 7.745457\n2.135183 -2.135183 7.745457\n2.135183 2.135183 -7.745457\nNd Ge\n2 4\ndirect\n0.750000 0.250000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.167343 0.667343 0.500000 Ge\n0.582657 0.582657 0.000000 Ge\n0.332657 0.832657 0.500000 Ge\n0.417343 0.417343 0.000000 Ge\n",
"nsites": 6,
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"volume": 141.2463534830679,
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"spacegroup": 141
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{
"id": "mp-1205638",
"created_at": "2022-09-04T14:47:57.610821Z",
"structure_string": "Cs6 Br2 O2\n1.0\n4.024424 -6.970507 0.000000\n4.024424 6.970507 0.000000\n0.000000 0.000000 7.294634\nCs Br O\n6 2 2\ndirect\n0.156569 0.313137 0.250000 Cs\n0.843431 0.686863 0.750000 Cs\n0.686863 0.843431 0.250000 Cs\n0.313137 0.156569 0.750000 Cs\n0.156569 0.843431 0.250000 Cs\n0.843431 0.156569 0.750000 Cs\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
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"volume": 409.2621676569178,
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"updated_at": "2021-11-28T01:38:25.882000Z",
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}
]
}