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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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{
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"updated_at": "2021-11-28T01:35:38.644000Z",
"spacegroup": 71
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{
"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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],
"chemical_system": "Bi-Hg-Tl",
"density": 1.0305801770902125,
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"volume": 1312.4467803386744,
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"formula_full": "Tl1 Hg2 Bi1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:46.212000Z",
"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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"chemical_system": "Ag-Pb-Sc",
"density": 0.5124161198424384,
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"volume": 1312.3809439316356,
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"formula_full": "Sc2 Ag1 Pb1",
"formula_reduced": "Sc2AgPb",
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"energy_uncorrected": -11.76214882,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:29.025000Z",
"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,
"density_atomic": 0.0030491139161514962,
"volume": 1311.8565294696123,
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"formula_full": "Sc2 Tl1 Hg1",
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"energy_uncorrected": -8.12933283,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:39.411000Z",
"spacegroup": 71
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{
"id": "mp-1097182",
"created_at": "2022-09-04T14:44:24.679321Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-5.707383 6.378396 9.006537\n5.707383 -6.378396 9.006537\n5.707383 6.378396 -9.006537\nSr P Au\n2 1 1\ndirect\n0.000000 0.231486 0.231486 Sr\n0.000000 0.768514 0.768514 Sr\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 Au\n",
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"density": 0.5104839706411288,
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"volume": 1311.4940507718243,
"volume_molar": 197.4500444912628,
"formula_full": "Sr2 P1 Au1",
"formula_reduced": "Sr2PAu",
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"energy": -10.05232078,
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"total_magnetization": 1.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.240000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"Ca",
"Ga"
],
"chemical_system": "Ca-Ga-Li",
"density": 0.15662018503427474,
"density_atomic": 0.0030503425707966137,
"volume": 1311.3281236983746,
"volume_molar": 197.42506358645758,
"formula_full": "Li2 Ca1 Ga1",
"formula_reduced": "Li2CaGa",
"formula_anonymous": "ABC2",
"energy": -3.94737535,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.326000Z",
"spacegroup": 71
},
{
"id": "mp-1093912",
"created_at": "2022-09-04T14:47:43.942060Z",
"structure_string": "Ca1 Hg2 Bi1\n1.0\n-5.832317 6.324067 8.886011\n5.832317 -6.324067 8.886011\n5.832317 6.324067 -8.886011\nCa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.254806 0.254806 Hg\n0.000000 0.745194 0.745194 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"Bi"
],
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"density": 0.8236018048195557,
"density_atomic": 0.003051093876047571,
"volume": 1311.0052205871998,
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"formula_full": "Ca1 Hg2 Bi1",
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"band_gap": 0.2208000000000001,
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"updated_at": "2021-11-28T01:38:20.993000Z",
"spacegroup": 71
},
{
"id": "mp-1093613",
"created_at": "2022-09-04T14:41:59.804921Z",
"structure_string": "Y2 Ag1 Hg1\n1.0\n-5.907940 6.262561 8.848301\n5.907940 -6.262561 8.848301\n5.907940 6.262561 -8.848301\nY Ag Hg\n2 1 1\ndirect\n0.000000 0.251997 0.251997 Y\n0.000000 0.748003 0.748003 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
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"density": 0.6166213541868487,
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"volume": 1309.507301975461,
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"formula_full": "Y2 Ag1 Hg1",
"formula_reduced": "Y2AgHg",
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"updated_at": "2021-11-28T01:35:34.091000Z",
"spacegroup": 71
},
{
"id": "mp-1097077",
"created_at": "2022-09-04T14:47:31.618638Z",
"structure_string": "In2 Hg1 Pb1\n1.0\n-5.808414 6.305594 8.935032\n5.808414 -6.305594 8.935032\n5.808414 6.305594 -8.935032\nIn Hg Pb\n2 1 1\ndirect\n0.000000 0.256258 0.256258 In\n0.000000 0.743742 0.743742 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.8086101715758113,
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"volume": 1309.0000747873778,
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"formula_full": "In2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:38:10.581000Z",
"spacegroup": 71
},
{
"id": "mp-1093688",
"created_at": "2022-09-04T14:39:18.788297Z",
"structure_string": "Ca1 Cd1 Ag2\n1.0\n-5.769184 6.333548 8.951557\n5.769184 -6.333548 8.951557\n5.769184 6.333548 -8.951557\nCa Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248274 0.248274 Ag\n0.000000 0.751726 0.751726 Ag\n",
"nsites": 4,
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"volume": 1308.3382229037575,
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"updated_at": "2021-11-28T01:34:36.043000Z",
"spacegroup": 71
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{
"id": "mp-1096142",
"created_at": "2022-09-04T14:48:09.203223Z",
"structure_string": "La2 Hg1 Ir1\n1.0\n-5.661446 6.233446 9.264917\n5.661446 -6.233446 9.264917\n5.661446 6.233446 -9.264917\nLa Hg Ir\n2 1 1\ndirect\n0.000000 0.214596 0.214596 La\n0.000000 0.785404 0.785404 La\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"volume": 1307.8474658377165,
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"formula_full": "La2 Hg1 Ir1",
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"updated_at": "2021-11-28T01:38:32.509000Z",
"spacegroup": 71
}
]
}