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{
"id": "mp-1097331",
"created_at": "2022-09-04T14:41:50.025274Z",
"structure_string": "Li2 Ca1 Ga1\n1.0\n-6.121594 6.198088 8.640306\n6.121594 -6.198088 8.640306\n6.121594 6.198088 -8.640306\nLi Ca Ga\n2 1 1\ndirect\n0.718208 0.000000 0.718208 Li\n0.281792 0.000000 0.281792 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ga\n",
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{
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"elements": [
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"volume": 1311.4940507718243,
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"updated_at": "2021-11-28T01:36:24.240000Z",
"spacegroup": 71
},
{
"id": "mp-1096505",
"created_at": "2022-09-04T14:39:21.094004Z",
"structure_string": "Sc2 Tl1 Hg1\n1.0\n-5.851730 6.223054 9.006136\n5.851730 -6.223054 9.006136\n5.851730 6.223054 -9.006136\nSc Tl Hg\n2 1 1\ndirect\n0.000000 0.250324 0.250324 Sc\n0.000000 0.749676 0.749676 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.6264222218060933,
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"volume": 1311.8565294696123,
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"formula_full": "Sc2 Tl1 Hg1",
"formula_reduced": "Sc2TlHg",
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"energy_uncorrected": -8.12933283,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.411000Z",
"spacegroup": 71
},
{
"id": "mp-1096672",
"created_at": "2022-09-04T14:44:06.844368Z",
"structure_string": "Sc2 Ag1 Pb1\n1.0\n-5.549150 6.504284 9.090211\n5.549150 -6.504284 9.090211\n5.549150 6.504284 -9.090211\nSc Ag Pb\n2 1 1\ndirect\n0.000000 0.255001 0.255001 Sc\n0.000000 0.744999 0.744999 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.5124161198424384,
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"volume": 1312.3809439316356,
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"formula_full": "Sc2 Ag1 Pb1",
"formula_reduced": "Sc2AgPb",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.025000Z",
"spacegroup": 71
},
{
"id": "mp-1097540",
"created_at": "2022-09-04T14:42:20.579653Z",
"structure_string": "Tl1 Hg2 Bi1\n1.0\n-5.881710 6.339604 8.799459\n5.881710 -6.339604 8.799459\n5.881710 6.339604 -8.799459\nTl Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255558 0.255558 Hg\n0.000000 0.744442 0.744442 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"volume": 1312.4467803386744,
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"formula_full": "Tl1 Hg2 Bi1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.212000Z",
"spacegroup": 71
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{
"id": "mp-1095753",
"created_at": "2022-09-04T14:41:55.143500Z",
"structure_string": "La2 Tl1 Ag1\n1.0\n-5.761899 6.313345 9.031060\n5.761899 -6.313345 9.031060\n5.761899 6.313345 -9.031060\nLa Tl Ag\n2 1 1\ndirect\n0.000000 0.245800 0.245800 La\n0.000000 0.754200 0.754200 La\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
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"density": 0.7456296776599893,
"density_atomic": 0.0030439401465740677,
"volume": 1314.0862853371052,
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"formula_full": "La2 Tl1 Ag1",
"formula_reduced": "La2TlAg",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.644000Z",
"spacegroup": 71
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{
"id": "mp-1096755",
"created_at": "2022-09-04T14:41:11.437490Z",
"structure_string": "Sr2 Li1 Rh1\n1.0\n-6.015033 6.268271 8.718459\n6.015033 -6.268271 8.718459\n6.015033 6.268271 -8.718459\nSr Li Rh\n2 1 1\ndirect\n0.000000 0.291302 0.291302 Sr\n0.000000 0.708698 0.708698 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Rh\n",
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"elements": [
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"Li",
"Rh"
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"chemical_system": "Li-Rh-Sr",
"density": 0.3600312929609051,
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"volume": 1314.8781227238096,
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"formula_full": "Sr2 Li1 Rh1",
"formula_reduced": "Sr2LiRh",
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"updated_at": "2021-11-28T01:35:14.138000Z",
"spacegroup": 71
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{
"id": "mp-1097667",
"created_at": "2022-09-04T14:43:02.757341Z",
"structure_string": "Y1 Sc1 Tl2\n1.0\n-5.865927 6.365562 8.805298\n5.865927 -6.365562 8.805298\n5.865927 6.365562 -8.805298\nY Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244883 0.244883 Tl\n0.000000 0.755117 0.755117 Tl\n",
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"volume": 1315.1565622374355,
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"formula_full": "Y1 Sc1 Tl2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:13.860000Z",
"spacegroup": 71
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{
"id": "mp-1096652",
"created_at": "2022-09-04T14:41:31.743730Z",
"structure_string": "Ca1 Tl1 Ag2\n1.0\n-5.848400 6.306502 8.917205\n5.848400 -6.306502 8.917205\n5.848400 6.306502 -8.917205\nCa Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249996 0.249996 Ag\n0.000000 0.750004 0.750004 Ag\n",
"nsites": 4,
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"elements": [
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"volume": 1315.5711725302258,
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"formula_full": "Ca1 Tl1 Ag2",
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"updated_at": "2021-11-28T01:35:22.615000Z",
"spacegroup": 71
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{
"id": "mp-1093775",
"created_at": "2022-09-04T14:40:18.098598Z",
"structure_string": "Na1 Ca1 Hg2\n1.0\n-5.993736 6.482277 8.469417\n5.993736 -6.482277 8.469417\n5.993736 6.482277 -8.469417\nNa Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Ca\n0.761102 0.000000 0.761102 Hg\n0.238898 0.000000 0.238898 Hg\n",
"nsites": 4,
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"volume": 1316.25096640266,
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"updated_at": "2021-11-28T01:34:51.177000Z",
"spacegroup": 71
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{
"id": "mp-1097661",
"created_at": "2022-09-04T14:44:58.974930Z",
"structure_string": "Li1 Y1 Cd2\n1.0\n-5.867786 6.314595 8.886582\n5.867786 -6.314595 8.886582\n5.867786 6.314595 -8.886582\nLi Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.236450 0.236450 Cd\n0.000000 0.763550 0.763550 Cd\n",
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"formula_full": "Li1 Y1 Cd2",
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"updated_at": "2021-11-28T01:36:46.109000Z",
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{
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"structure_string": "Y2 Cd1 Ru1\n1.0\n-5.817249 6.334195 8.942697\n5.817249 -6.334195 8.942697\n5.817249 6.334195 -8.942697\nY Cd Ru\n2 1 1\ndirect\n0.000000 0.200437 0.200437 Y\n0.000000 0.799563 0.799563 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Y2 Cd1 Ru1",
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"updated_at": "2021-11-28T01:37:44.400000Z",
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}
]
}