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{
"id": "mp-1206284",
"created_at": "2022-09-04T14:45:23.985988Z",
"structure_string": "La2 C2 Br2\n1.0\n2.059233 3.743695 0.000000\n-2.059233 3.743695 0.000000\n0.000000 0.740255 10.169777\nLa C Br\n2 2 2\ndirect\n0.855467 0.855467 0.150378 La\n0.144533 0.144533 0.849622 La\n0.573170 0.573170 0.032344 C\n0.426830 0.426830 0.967656 C\n0.824673 0.824673 0.660376 Br\n0.175327 0.175327 0.339624 Br\n",
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],
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{
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"structure_string": "Er2 Ag2 Pb2\n1.0\n-2.431285 -4.214142 -0.000028\n-4.862570 0.000000 0.000000\n0.000000 -0.000375 -7.651996\nEr Ag Pb\n2 2 2\ndirect\n0.999838 0.000081 0.714049 Er\n0.000162 0.999919 0.285951 Er\n0.333231 0.333384 0.515002 Ag\n0.666769 0.666616 0.484998 Ag\n0.665999 0.667000 0.077748 Pb\n0.334001 0.333000 0.922252 Pb\n",
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},
{
"id": "mp-1211687",
"created_at": "2022-09-04T14:41:30.350102Z",
"structure_string": "La10 Ge6 O2\n1.0\n4.526126 -7.839481 0.000000\n4.526126 7.839481 0.000000\n0.000000 0.000000 6.628776\nLa Ge O\n10 6 2\ndirect\n0.228823 0.000000 0.750000 La\n0.771177 0.000000 0.250000 La\n0.000000 0.228823 0.750000 La\n0.000000 0.771177 0.250000 La\n0.771177 0.771177 0.750000 La\n0.228823 0.228823 0.250000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.604923 0.000000 0.750000 Ge\n0.395077 0.000000 0.250000 Ge\n0.000000 0.604923 0.750000 Ge\n0.000000 0.395077 0.250000 Ge\n0.395077 0.395077 0.750000 Ge\n0.604923 0.604923 0.250000 Ge\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
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"elements": [
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"Ge",
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],
"chemical_system": "Ge-La-O",
"density": 6.554790302338633,
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"volume": 470.4108075227806,
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"formula_full": "La10 Ge6 O2",
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"updated_at": "2021-11-28T01:35:20.229000Z",
"spacegroup": 193
},
{
"id": "mp-1094549",
"created_at": "2022-09-04T14:45:13.515478Z",
"structure_string": "Mg2 Sb4\n1.0\n1.622726 -8.980842 0.000000\n1.622726 8.980842 0.000000\n0.000000 0.000000 5.379939\nMg Sb\n2 4\ndirect\n0.291273 0.708727 0.250000 Mg\n0.708727 0.291273 0.750000 Mg\n0.648646 0.351354 0.250000 Sb\n0.956284 0.043716 0.250000 Sb\n0.043716 0.956284 0.750000 Sb\n0.351354 0.648646 0.750000 Sb\n",
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"density": 5.672318507145184,
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"formula_full": "Mg2 Sb4",
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"energy": -20.26238574,
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"spacegroup": 63
},
{
"id": "mp-1021395",
"created_at": "2022-09-04T14:39:36.152486Z",
"structure_string": "Sr2 Mg12 Sn2\n1.0\n5.259361 0.000000 0.000000\n0.000000 6.557362 0.000000\n0.000000 0.000000 12.124854\nSr Mg Sn\n2 12 2\ndirect\n0.500000 0.000000 0.670893 Sr\n0.500000 0.500000 0.170893 Sr\n0.500000 0.751341 0.918625 Mg\n0.500000 0.248659 0.918625 Mg\n0.000000 0.258625 0.575967 Mg\n0.000000 0.741375 0.575967 Mg\n0.000000 0.500000 0.834289 Mg\n0.000000 0.000000 0.842625 Mg\n0.500000 0.251341 0.418625 Mg\n0.500000 0.748659 0.418625 Mg\n0.000000 0.758625 0.075967 Mg\n0.000000 0.241375 0.075967 Mg\n0.000000 0.000000 0.334289 Mg\n0.000000 0.500000 0.342625 Mg\n0.500000 0.500000 0.663005 Sn\n0.500000 0.000000 0.163005 Sn\n",
"nsites": 16,
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"elements": [
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"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 2.796922671738413,
"density_atomic": 0.03826320315734834,
"volume": 418.1563141539353,
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"formula_full": "Sr2 Mg12 Sn2",
"formula_reduced": "SrMg6Sn",
"formula_anonymous": "ABC6",
"energy": -31.21597138,
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"updated_at": "2021-11-28T01:34:29.480000Z",
"spacegroup": 38
},
{
"id": "mp-1196458",
"created_at": "2022-09-04T14:41:59.049760Z",
"structure_string": "Eu20 Pt16\n1.0\n7.755582 0.000000 0.000000\n0.000000 7.936549 0.000000\n0.000000 0.000000 15.285404\nEu Pt\n20 16\ndirect\n0.657031 0.166990 0.622337 Eu\n0.157031 0.333010 0.877663 Eu\n0.342969 0.833010 0.122337 Eu\n0.842969 0.666990 0.377663 Eu\n0.342969 0.833010 0.377663 Eu\n0.842969 0.666990 0.122337 Eu\n0.657031 0.166990 0.877663 Eu\n0.157031 0.333010 0.622337 Eu\n0.499353 0.680205 0.593965 Eu\n0.999353 0.819795 0.906035 Eu\n0.500647 0.319795 0.093965 Eu\n0.000647 0.180205 0.406035 Eu\n0.500647 0.319795 0.406035 Eu\n0.000647 0.180205 0.093965 Eu\n0.499353 0.680205 0.906035 Eu\n0.999353 0.819795 0.593965 Eu\n0.817345 0.510776 0.750000 Eu\n0.317345 0.989224 0.750000 Eu\n0.182655 0.489224 0.250000 Eu\n0.682655 0.010776 0.250000 Eu\n0.677433 0.967504 0.459270 Pt\n0.177433 0.532496 0.040730 Pt\n0.322567 0.032496 0.959270 Pt\n0.822567 0.467504 0.540730 Pt\n0.322567 0.032496 0.540730 Pt\n0.822567 0.467504 0.959270 Pt\n0.677433 0.967504 0.040730 Pt\n0.177433 0.532496 0.459270 Pt\n0.450232 0.391371 0.750000 Pt\n0.950232 0.108629 0.750000 Pt\n0.549768 0.608629 0.250000 Pt\n0.049768 0.891371 0.250000 Pt\n0.693221 0.864094 0.750000 Pt\n0.193221 0.635906 0.750000 Pt\n0.306779 0.135906 0.250000 Pt\n0.806779 0.364094 0.250000 Pt\n",
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"volume": 940.8556943520806,
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"formula_full": "Eu20 Pt16",
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},
{
"id": "mp-1226974",
"created_at": "2022-09-04T14:40:19.772028Z",
"structure_string": "Cd2 Ga1 Ag1 Se2 S2\n1.0\n2.070079 7.713871 0.000000\n-2.070079 7.713871 0.000000\n0.000000 3.304713 6.546794\nCd Ga Ag Se S\n2 1 1 2 2\ndirect\n0.179555 0.179555 0.490135 Cd\n0.681750 0.681750 0.973106 Cd\n0.443566 0.443566 0.903054 Ga\n0.945936 0.945936 0.382349 Ag\n0.754146 0.754146 0.578100 Se\n0.262365 0.262365 0.074574 Se\n0.497471 0.497471 0.147232 S\n0.989328 0.989328 0.697050 S\n",
"nsites": 8,
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"elements": [
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"S"
],
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"density": 4.959501030166979,
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"volume": 209.0826341090883,
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"formula_full": "Cd2 Ga1 Ag1 Se2 S2",
"formula_reduced": "Cd2GaAg(SeS)2",
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{
"id": "mp-1022026",
"created_at": "2022-09-04T14:46:18.777504Z",
"structure_string": "Ba1 Mg6 Ni1\n1.0\n3.131115 -7.408281 0.000000\n3.131115 7.408281 0.000000\n0.000000 0.000000 4.506993\nBa Mg Ni\n1 6 1\ndirect\n0.279445 0.720555 0.500000 Ba\n0.206392 0.300412 0.000000 Mg\n0.699588 0.793608 0.000000 Mg\n0.690509 0.309491 0.000000 Mg\n0.317164 0.165154 0.500000 Mg\n0.834846 0.682836 0.500000 Mg\n0.870484 0.129516 0.500000 Mg\n0.101572 0.898428 0.000000 Ni\n",
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{
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"structure_string": "Te1 As1\n1.0\n0.000000 2.967667 2.967667\n2.967667 0.000000 2.967667\n2.967667 2.967667 0.000000\nTe As\n1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 As\n",
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{
"id": "mp-1247565",
"created_at": "2022-09-04T14:45:56.235886Z",
"structure_string": "Sb16 Te12 N8\n1.0\n7.607925 0.000000 0.000000\n0.000000 10.790199 0.000000\n0.000000 0.000000 11.461809\nSb Te N\n16 12 8\ndirect\n0.590257 0.250000 0.828223 Sb\n0.090257 0.250000 0.671777 Sb\n0.409743 0.750000 0.171777 Sb\n0.909743 0.750000 0.328223 Sb\n0.764492 0.250000 0.475091 Sb\n0.264492 0.250000 0.024909 Sb\n0.235508 0.750000 0.524909 Sb\n0.735508 0.750000 0.975091 Sb\n0.651245 0.449556 0.100056 Sb\n0.151245 0.050444 0.399944 Sb\n0.348755 0.949556 0.899944 Sb\n0.848755 0.550444 0.600056 Sb\n0.348755 0.550444 0.899944 Sb\n0.848755 0.949556 0.600056 Sb\n0.651245 0.050444 0.100056 Sb\n0.151245 0.449556 0.399944 Sb\n0.943840 0.250000 0.260727 Te\n0.443840 0.250000 0.239273 Te\n0.056160 0.750000 0.739273 Te\n0.556160 0.750000 0.760727 Te\n0.614937 0.554533 0.357714 Te\n0.114937 0.945467 0.142286 Te\n0.385063 0.054533 0.642286 Te\n0.885063 0.445467 0.857714 Te\n0.385063 0.445467 0.642286 Te\n0.885063 0.054533 0.857714 Te\n0.614937 0.945467 0.357714 Te\n0.114937 0.554533 0.142286 Te\n0.539931 0.622580 0.041286 N\n0.039931 0.877420 0.458714 N\n0.460069 0.122580 0.958714 N\n0.960069 0.377420 0.541286 N\n0.460069 0.377420 0.958714 N\n0.960069 0.122580 0.541286 N\n0.539931 0.877420 0.041286 N\n0.039931 0.622580 0.458714 N\n",
"nsites": 36,
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"formula_full": "Sb16 Te12 N8",
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"energy": -171.20202514,
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{
"id": "mp-11477",
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"structure_string": "Ho1 Sn3\n1.0\n4.710927 0.000000 0.000000\n0.000000 4.710927 0.000000\n0.000000 0.000000 4.710927\nHo Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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{
"id": "mp-38593",
"created_at": "2022-09-04T14:39:20.422038Z",
"structure_string": "Sm4 As2 Se2\n1.0\n-2.964898 2.964898 5.946613\n2.964898 -2.964898 5.946613\n2.964898 2.964898 -5.946613\nSm As Se\n4 2 2\ndirect\n0.744660 0.744660 0.000000 Sm\n0.494660 0.994660 0.500000 Sm\n0.255340 0.255340 0.000000 Sm\n0.005340 0.505340 0.500000 Sm\n0.500000 0.500000 0.000000 As\n0.250000 0.750000 0.500000 As\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 Se\n",
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"formula_full": "Sm4 As2 Se2",
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}
]
}