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{
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{
"id": "mp-1096690",
"created_at": "2022-09-04T14:40:09.760218Z",
"structure_string": "Li1 Ca2 Pt1\n1.0\n-5.879151 5.927833 8.307931\n5.879151 -5.927833 8.307931\n5.879151 5.927833 -8.307931\nLi Ca Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.285199 0.000000 0.285199 Ca\n0.714801 0.000000 0.714801 Ca\n0.500000 0.000000 0.500000 Pt\n",
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{
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"updated_at": "2021-11-28T01:36:06.338000Z",
"spacegroup": 71
},
{
"id": "mp-1096111",
"created_at": "2022-09-04T14:39:33.922026Z",
"structure_string": "Sc1 Mn1 Au2\n1.0\n-5.437330 6.240975 8.540093\n5.437330 -6.240975 8.540093\n5.437330 6.240975 -8.540093\nSc Mn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.250642 0.250642 Au\n0.000000 0.749358 0.749358 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Mn-Sc",
"density": 0.7073971180954717,
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"volume": 1159.206282322482,
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"formula_full": "Sc1 Mn1 Au2",
"formula_reduced": "ScMnAu2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.779000Z",
"spacegroup": 71
},
{
"id": "mp-1093717",
"created_at": "2022-09-04T14:46:53.247773Z",
"structure_string": "Sc2 Al1 In1\n1.0\n-5.620584 6.030266 8.553484\n5.620584 -6.030266 8.553484\n5.620584 6.030266 -8.553484\nSc Al In\n2 1 1\ndirect\n0.000000 0.244957 0.244957 Sc\n0.000000 0.755043 0.755043 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"In"
],
"chemical_system": "Al-In-Sc",
"density": 0.3317993092214396,
"density_atomic": 0.0034493641096783926,
"volume": 1159.6340290016374,
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"formula_full": "Sc2 Al1 In1",
"formula_reduced": "Sc2AlIn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:40.678000Z",
"spacegroup": 71
},
{
"id": "mp-1096463",
"created_at": "2022-09-04T14:40:04.263394Z",
"structure_string": "Sc2 Cd1 Au1\n1.0\n-5.657874 6.043600 8.478909\n5.657874 -6.043600 8.478909\n5.657874 6.043600 -8.478909\nSc Cd Au\n2 1 1\ndirect\n0.000000 0.271990 0.271990 Sc\n0.000000 0.728010 0.728010 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5717259716981173,
"density_atomic": 0.003449141739563987,
"volume": 1159.7087919343228,
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"formula_full": "Sc2 Cd1 Au1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.674000Z",
"spacegroup": 71
},
{
"id": "mp-1096588",
"created_at": "2022-09-04T14:43:07.319205Z",
"structure_string": "Na1 Y1 Au2\n1.0\n-5.641329 6.029804 8.526378\n5.641329 -6.029804 8.526378\n5.641329 6.029804 -8.526378\nNa Y Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.256457 0.256457 Au\n0.000000 0.743543 0.743543 Au\n",
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"elements": [
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"Y",
"Au"
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"density": 0.7240080851381749,
"density_atomic": 0.003447869294764825,
"volume": 1160.136785368726,
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"formula_full": "Na1 Y1 Au2",
"formula_reduced": "NaYAu2",
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"energy_uncorrected": -10.70189398,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.939000Z",
"spacegroup": 71
},
{
"id": "mp-1096752",
"created_at": "2022-09-04T14:42:06.225123Z",
"structure_string": "Li1 Y2 Pd1\n1.0\n-5.803847 5.950299 8.399333\n5.803847 -5.950299 8.399333\n5.803847 5.950299 -8.399333\nLi Y Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.286217 0.286217 Y\n0.000000 0.713783 0.713783 Y\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
"Li",
"Y",
"Pd"
],
"chemical_system": "Li-Pd-Y",
"density": 0.41671603828105785,
"density_atomic": 0.0034474696842737196,
"volume": 1160.2712616290003,
"volume_molar": 174.68292143281568,
"formula_full": "Li1 Y2 Pd1",
"formula_reduced": "LiY2Pd",
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"updated_at": "2021-11-28T01:35:31.475000Z",
"spacegroup": 71
},
{
"id": "mp-1097092",
"created_at": "2022-09-04T14:40:13.642990Z",
"structure_string": "Y2 Ag1 Rh1\n1.0\n-5.417137 6.146092 8.719182\n5.417137 -6.146092 8.719182\n5.417137 6.146092 -8.719182\nY Ag Rh\n2 1 1\ndirect\n0.000000 0.222580 0.222580 Y\n0.000000 0.777420 0.777420 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"Ag",
"Rh"
],
"chemical_system": "Ag-Rh-Y",
"density": 0.5556879334636634,
"density_atomic": 0.003444731536602405,
"volume": 1161.1935378700848,
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"formula_full": "Y2 Ag1 Rh1",
"formula_reduced": "Y2AgRh",
"formula_anonymous": "ABC2",
"energy": -16.09310622,
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"energy_uncorrected": -16.09310622,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.645000Z",
"spacegroup": 71
},
{
"id": "mp-1093654",
"created_at": "2022-09-04T14:41:09.527578Z",
"structure_string": "Y2 Cu1 Hg1\n1.0\n-5.841317 5.939245 8.370870\n5.841317 -5.939245 8.370870\n5.841317 5.939245 -8.370870\nY Cu Hg\n2 1 1\ndirect\n0.000000 0.238376 0.238376 Y\n0.000000 0.761624 0.761624 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Y",
"density": 0.6317530839969618,
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"volume": 1161.6427997485582,
"volume_molar": 174.88941132315776,
"formula_full": "Y2 Cu1 Hg1",
"formula_reduced": "Y2CuHg",
"formula_anonymous": "ABC2",
"energy": -9.16703104,
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"updated_at": "2021-11-28T01:35:10.551000Z",
"spacegroup": 71
},
{
"id": "mp-1097250",
"created_at": "2022-09-04T14:48:18.090521Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-5.791838 5.956809 8.422881\n5.791838 -5.956809 8.422881\n5.791838 5.956809 -8.422881\nHf Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250392 0.250392 Hg\n0.000000 0.749608 0.749608 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
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"density": 0.8628142768022389,
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"volume": 1162.3869814333289,
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"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
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{
"id": "mp-1096068",
"created_at": "2022-09-04T14:41:17.774100Z",
"structure_string": "Sc1 Zn1 Hg2\n1.0\n-5.591471 6.034579 8.616294\n5.591471 -6.034579 8.616294\n5.591471 6.034579 -8.616294\nSc Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256556 0.256556 Hg\n0.000000 0.743444 0.743444 Hg\n",
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"updated_at": "2021-11-28T01:35:25.335000Z",
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{
"id": "mp-1096388",
"created_at": "2022-09-04T14:43:14.121705Z",
"structure_string": "Tl1 Sn1 Pb2\n1.0\n-5.594027 6.049204 8.592358\n5.594027 -6.049204 8.592358\n5.594027 6.049204 -8.592358\nTl Sn Pb\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.774118 0.000000 0.774119 Pb\n0.225881 0.000000 0.225882 Pb\n",
"nsites": 4,
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"volume": 1163.0413182547734,
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"formula_full": "Tl1 Sn1 Pb2",
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"formula_anonymous": "ABC2",
"energy": -9.00082164,
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"updated_at": "2021-11-28T01:36:07.911000Z",
"spacegroup": 71
}
]
}