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{
"id": "mp-973068",
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{
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{
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},
{
"id": "mp-1023255",
"created_at": "2022-09-04T14:42:27.990225Z",
"structure_string": "Ca2 Mg12 Sn2\n1.0\n5.168897 0.000000 0.000000\n0.000000 6.717298 0.000000\n0.000000 0.000000 11.445284\nCa Mg Sn\n2 12 2\ndirect\n0.000000 0.000000 0.829958 Ca\n0.000000 0.500000 0.329958 Ca\n0.000000 0.749719 0.580601 Mg\n0.000000 0.250281 0.580601 Mg\n0.000000 0.000000 0.336403 Mg\n0.500000 0.760631 0.420252 Mg\n0.500000 0.239369 0.420252 Mg\n0.500000 0.000000 0.167054 Mg\n0.000000 0.249719 0.080601 Mg\n0.000000 0.750281 0.080601 Mg\n0.000000 0.500000 0.836403 Mg\n0.500000 0.260631 0.920252 Mg\n0.500000 0.739369 0.920252 Mg\n0.500000 0.500000 0.667054 Mg\n0.500000 0.000000 0.664878 Sn\n0.500000 0.500000 0.164878 Sn\n",
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"elements": [
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"density": 2.5457490386376835,
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"volume": 397.3919516122026,
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"formula_full": "Ca2 Mg12 Sn2",
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{
"id": "mp-7109",
"created_at": "2022-09-04T14:47:55.115637Z",
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"volume": 85.4128234345215,
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"spacegroup": 139
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{
"id": "mp-1178644",
"created_at": "2022-09-04T14:42:19.147877Z",
"structure_string": "Zn1 Ga1 Cu3 Se4\n1.0\n5.762421 0.000000 0.000000\n0.000000 5.762421 0.000000\n0.000000 0.000000 5.762421\nZn Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.251142 0.251142 0.251142 Se\n0.748858 0.748858 0.251142 Se\n0.251142 0.748858 0.748858 Se\n0.748858 0.251142 0.748858 Se\n",
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"volume": 191.34404620523452,
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"formula_full": "Zn1 Ga1 Cu3 Se4",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 215
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{
"id": "mp-1099668",
"created_at": "2022-09-04T14:40:30.557558Z",
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"formula_full": "Sm1 Ni1 O3",
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{
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{
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"created_at": "2022-09-04T14:47:11.000303Z",
"structure_string": "Nd1 Si3 Rh1\n1.0\n-2.121077 2.121077 4.949477\n2.121077 -2.121077 4.949477\n2.121077 2.121077 -4.949477\nNd Si Rh\n1 3 1\ndirect\n0.999471 0.999471 0.000000 Nd\n0.414170 0.414170 0.000000 Si\n0.262572 0.762572 0.500000 Si\n0.762572 0.262572 0.500000 Si\n0.655216 0.655216 0.000000 Rh\n",
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"formula_full": "Nd1 Si3 Rh1",
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{
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{
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{
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"nsites": 7,
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"elements": [
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"density": 4.138087917570043,
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"volume": 143.51030381903257,
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"formula_full": "Sr2 Li1 Cu1 Br1 O2",
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"energy": -33.766496450000005,
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]
}