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{
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"results": [
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 1881.6095561198456,
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"formula_full": "Ba2 In1 Hg1",
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{
"id": "mp-1184605",
"created_at": "2022-09-04T14:43:16.424270Z",
"structure_string": "Hg3 Cl1\n1.0\n0.000000 3.774666 3.774666\n3.774666 0.000000 3.774666\n3.774666 3.774666 0.000000\nHg Cl\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:04.339000Z",
"spacegroup": 225
},
{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7004572680600556,
"density_atomic": 0.0031094468427921014,
"volume": 1286.40243819323,
"volume_molar": 193.67241392017075,
"formula_full": "Cd1 In2 Hg1",
"formula_reduced": "CdIn2Hg",
"formula_anonymous": "ABC2",
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"energy_per_atom": -0.7703381775,
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"energy_uncorrected": -3.08135271,
"band_gap": 0.0,
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"total_magnetization": 0.7852873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
},
{
"id": "mp-1178932",
"created_at": "2022-09-04T14:47:08.133102Z",
"structure_string": "Te1\n1.0\n2.157882 -2.358491 0.000000\n2.157882 2.358491 0.000000\n-0.419868 0.000000 3.169014\nTe\n1\ndirect\n0.000000 0.000000 0.000000 Te\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Te",
"density": 6.568764661121117,
"density_atomic": 0.031001587321516835,
"volume": 32.256412861348686,
"volume_molar": 19.425265866371614,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.08921044,
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"energy_above_hull": null,
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"energy_uncorrected": -3.08921044,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 166
},
{
"id": "mp-10654",
"created_at": "2022-09-04T14:40:09.085617Z",
"structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
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"chemical_system": "Te",
"density": 6.481620453792556,
"density_atomic": 0.030590306221883155,
"volume": 32.69009446151401,
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"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.09675431,
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"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 221
},
{
"id": "mp-1093779",
"created_at": "2022-09-04T14:40:07.568343Z",
"structure_string": "K1 Na2 Tl1\n1.0\n-6.988985 7.105538 10.012567\n6.988985 -7.105538 10.012567\n6.988985 7.105538 -10.012567\nK Na Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.261422 0.261422 Na\n0.000000 0.738578 0.738578 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Na",
"Tl"
],
"chemical_system": "K-Na-Tl",
"density": 0.2416700668348954,
"density_atomic": 0.002011145492899554,
"volume": 1988.916273895744,
"volume_molar": 299.4383440313721,
"formula_full": "K1 Na2 Tl1",
"formula_reduced": "KNa2Tl",
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"updated_at": "2021-11-28T01:34:54.614000Z",
"spacegroup": 71
},
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.43388110010760905,
"density_atomic": 0.002803772487947881,
"volume": 1426.6492795667791,
"volume_molar": 214.78706941759341,
"formula_full": "Ca1 Cd2 Ag1",
"formula_reduced": "CaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -3.10897079,
"energy_per_atom": -0.7772426975,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -3.10897079,
"band_gap": 0.0,
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"total_magnetization": 0.0004201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.710000Z",
"spacegroup": 71
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.104822986646732,
"density_atomic": 0.030936901568147854,
"volume": 96.97157271524414,
"volume_molar": 19.465882020325854,
"formula_full": "Br3",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -3.11029283,
"energy_per_atom": -1.0367642766666667,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
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{
"id": "mp-2545",
"created_at": "2022-09-04T14:48:27.659646Z",
"structure_string": "Yb1 Hg1\n1.0\n3.754500 0.000000 0.000000\n0.000000 3.754500 0.000000\n0.000000 0.000000 3.754500\nYb Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Hg"
],
"chemical_system": "Hg-Yb",
"density": 11.722885182234823,
"density_atomic": 0.03778971961841025,
"volume": 52.92444665362501,
"volume_molar": 15.935923369662039,
"formula_full": "Yb1 Hg1",
"formula_reduced": "YbHg",
"formula_anonymous": "AB",
"energy": -3.11887475,
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"energy_above_hull": null,
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"energy_uncorrected": -3.11887475,
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"total_magnetization": 1.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:17.650000Z",
"spacegroup": 221
},
{
"id": "mp-1009651",
"created_at": "2022-09-04T14:42:55.994153Z",
"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ca-Hg",
"density": 8.065133774496399,
"density_atomic": 0.03302106988770648,
"volume": 90.8510841775263,
"volume_molar": 18.237267237189073,
"formula_full": "Ca1 Hg2",
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"formula_anonymous": "AB2",
"energy": -3.1194455,
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"updated_at": "2021-11-28T01:36:06.551000Z",
"spacegroup": 164
},
{
"id": "mp-1095813",
"created_at": "2022-09-04T14:41:45.555962Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n-6.134766 6.323271 8.915663\n6.134766 -6.323271 8.915663\n6.134766 6.323271 -8.915663\nCa Ga Hg\n2 1 1\ndirect\n0.000000 0.233437 0.233437 Ca\n0.000000 0.766563 0.766563 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.42067361559243605,
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"volume": 1383.4180337472526,
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"formula_full": "Ca2 Ga1 Hg1",
"formula_reduced": "Ca2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.12074854,
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"spacegroup": 71
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{
"id": "mp-1096378",
"created_at": "2022-09-04T14:39:21.373829Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-6.045760 6.446940 9.041174\n6.045760 -6.446940 9.041174\n6.045760 6.446940 -9.041174\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.261840 0.261840 Hg\n0.000000 0.738160 0.738160 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-Hg-Sr",
"density": 0.8220126742627188,
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"volume": 1409.5787697519754,
"volume_molar": 212.21704409385066,
"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
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"energy": -3.12091105,
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"updated_at": "2021-11-28T01:34:38.872000Z",
"spacegroup": 71
}
]
}