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{
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"results": [
{
"id": "mp-1095748",
"created_at": "2022-09-04T14:46:24.695668Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n-5.655705 6.048993 8.501463\n5.655705 -6.048993 8.501463\n5.655705 6.048993 -8.501463\nMg Cd Hg\n2 1 1\ndirect\n0.000000 0.251767 0.251767 Mg\n0.000000 0.748233 0.748233 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
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"formula_full": "Mg2 Cd1 Hg1",
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{
"id": "mp-1097071",
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"structure_string": "Li1 Y2 Co1\n1.0\n-5.536245 6.067488 8.660098\n5.536245 -6.067488 8.660098\n5.536245 6.067488 -8.660098\nLi Y Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.300602 0.300602 Y\n0.000000 0.699398 0.699398 Y\n0.000000 0.500000 0.500000 Co\n",
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"elements": [
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"chemical_system": "Co-Li-Y",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.204000Z",
"spacegroup": 71
},
{
"id": "mp-1093671",
"created_at": "2022-09-04T14:39:48.041484Z",
"structure_string": "Na1 Li2 Hg1\n1.0\n-5.881280 5.955124 8.312081\n5.881280 -5.955124 8.312081\n5.881280 5.955124 -8.312081\nNa Li Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.262751 0.000000 0.262751 Li\n0.737249 0.000000 0.737249 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Li-Na",
"density": 0.3386182599632298,
"density_atomic": 0.003435006539861234,
"volume": 1164.4810435096263,
"volume_molar": 175.31671890916633,
"formula_full": "Na1 Li2 Hg1",
"formula_reduced": "NaLi2Hg",
"formula_anonymous": "ABC2",
"energy": -2.8068034,
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"band_gap": 0.2867999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.080000Z",
"spacegroup": 71
},
{
"id": "mp-1095873",
"created_at": "2022-09-04T14:42:42.291231Z",
"structure_string": "Li1 Zr1 Hg2\n1.0\n-5.689727 6.077672 8.424744\n5.689727 -6.077672 8.424744\n5.689727 6.077672 -8.424744\nLi Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zr\n0.000000 0.236461 0.236461 Hg\n0.000000 0.763539 0.763539 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zr",
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],
"chemical_system": "Hg-Li-Zr",
"density": 0.7115483427359829,
"density_atomic": 0.0034325320401579124,
"volume": 1165.32051360429,
"volume_molar": 175.44310408601325,
"formula_full": "Li1 Zr1 Hg2",
"formula_reduced": "LiZrHg2",
"formula_anonymous": "ABC2",
"energy": -5.09059324,
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"energy_above_hull": null,
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"band_gap": 0.1902000000000003,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.890000Z",
"spacegroup": 71
},
{
"id": "mp-1096271",
"created_at": "2022-09-04T14:46:36.528296Z",
"structure_string": "Li1 Sc2 In1\n1.0\n-5.736438 6.121823 8.296746\n5.736438 -6.121823 8.296746\n5.736438 6.121823 -8.296746\nLi Sc In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.259373 0.000000 0.259373 Sc\n0.740627 0.000000 0.740627 Sc\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Li-Sc",
"density": 0.30159159854665885,
"density_atomic": 0.0034321727005872864,
"volume": 1165.4425196364832,
"volume_molar": 175.46147252349914,
"formula_full": "Li1 Sc2 In1",
"formula_reduced": "LiSc2In",
"formula_anonymous": "ABC2",
"energy": -8.89268528,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.733000Z",
"spacegroup": 71
},
{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-In-Li",
"density": 0.49378277643198976,
"density_atomic": 0.003431958919346041,
"volume": 1165.5151165860107,
"volume_molar": 175.47240224971915,
"formula_full": "Li1 Cd2 In1",
"formula_reduced": "LiCd2In",
"formula_anonymous": "ABC2",
"energy": -3.03514741,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
},
{
"id": "mp-1096174",
"created_at": "2022-09-04T14:48:23.657456Z",
"structure_string": "Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Y-Zn",
"density": 0.4729433433547035,
"density_atomic": 0.0034300903818690366,
"volume": 1166.150029498763,
"volume_molar": 175.56799062299257,
"formula_full": "Y1 Zn2 Cd1",
"formula_reduced": "YZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.1365237,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.384000Z",
"spacegroup": 71
},
{
"id": "mp-1093961",
"created_at": "2022-09-04T14:47:22.363537Z",
"structure_string": "Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"In",
"Cu"
],
"chemical_system": "Cu-In-Sc",
"density": 0.38176000832671436,
"density_atomic": 0.003427834045123255,
"volume": 1166.9176358437655,
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"formula_full": "Sc2 In1 Cu1",
"formula_reduced": "Sc2InCu",
"formula_anonymous": "ABC2",
"energy": -10.97450487,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:06.854000Z",
"spacegroup": 71
},
{
"id": "mp-1097110",
"created_at": "2022-09-04T14:44:49.590116Z",
"structure_string": "Y1 Sc1 Ag2\n1.0\n-5.593343 6.026628 8.655981\n5.593343 -6.026628 8.655981\n5.593343 6.026628 -8.655981\nY Sc Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244602 0.244602 Ag\n0.000000 0.755398 0.755398 Ag\n",
"nsites": 4,
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"elements": [
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"Ag"
],
"chemical_system": "Ag-Sc-Y",
"density": 0.49738892965817094,
"density_atomic": 0.0034271875238318576,
"volume": 1167.1377688512632,
"volume_molar": 175.71669825836628,
"formula_full": "Y1 Sc1 Ag2",
"formula_reduced": "YScAg2",
"formula_anonymous": "ABC2",
"energy": -10.27740108,
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"updated_at": "2021-11-28T01:36:45.462000Z",
"spacegroup": 71
},
{
"id": "mp-1093978",
"created_at": "2022-09-04T14:42:48.524630Z",
"structure_string": "Y2 Cd1 Ir1\n1.0\n-5.690332 5.980446 8.588684\n5.690332 -5.980446 8.588684\n5.690332 5.980446 -8.588684\nY Cd Ir\n2 1 1\ndirect\n0.000000 0.285298 0.285298 Y\n0.000000 0.714702 0.714702 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Ir-Y",
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"volume": 1169.116513076576,
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"formula_full": "Y2 Cd1 Ir1",
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"updated_at": "2021-11-28T01:35:49.629000Z",
"spacegroup": 71
},
{
"id": "mp-1097220",
"created_at": "2022-09-04T14:46:11.526369Z",
"structure_string": "Sc2 Zn1 Hg1\n1.0\n-5.723503 6.047359 8.444649\n5.723503 -6.047359 8.444649\n5.723503 6.047359 -8.444649\nSc Zn Hg\n2 1 1\ndirect\n0.000000 0.247925 0.247925 Sc\n0.000000 0.752075 0.752075 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"volume": 1169.1473784916916,
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"formula_full": "Sc2 Zn1 Hg1",
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"updated_at": "2021-11-28T01:37:18.727000Z",
"spacegroup": 71
},
{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
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"volume": 292.3682938336179,
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"formula_full": "Ca1",
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"formula_anonymous": "A",
"energy": -1.03268839,
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"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
}
]
}