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{
"id": "mp-1184657",
"created_at": "2022-09-04T14:42:53.907978Z",
"structure_string": "Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n",
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"formula_full": "Hg8",
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{
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"created_at": "2022-09-04T14:44:23.752582Z",
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"elements": [
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"updated_at": "2021-11-28T01:36:36.812000Z",
"spacegroup": 71
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{
"id": "mp-1097199",
"created_at": "2022-09-04T14:44:14.094660Z",
"structure_string": "Mg2 Cd1 In1\n1.0\n-5.688571 5.973437 8.430717\n5.688571 -5.973437 8.430717\n5.688571 5.973437 -8.430717\nMg Cd In\n2 1 1\ndirect\n0.000000 0.249630 0.249630 Mg\n0.000000 0.750370 0.750370 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-In-Mg",
"density": 0.39971716078174396,
"density_atomic": 0.003490663767265795,
"volume": 1145.9138624322914,
"volume_molar": 172.52136446006338,
"formula_full": "Mg2 Cd1 In1",
"formula_reduced": "Mg2CdIn",
"formula_anonymous": "ABC2",
"energy": -2.43586294,
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"energy_uncorrected": -2.43586294,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:29.928000Z",
"spacegroup": 71
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{
"id": "mp-1095942",
"created_at": "2022-09-04T14:40:17.124441Z",
"structure_string": "Sr2 Mg1 Tl1\n1.0\n-6.910624 6.935824 9.719393\n6.910624 -6.935824 9.719393\n6.910624 6.935824 -9.719393\nSr Mg Tl\n2 1 1\ndirect\n0.000000 0.268139 0.268139 Sr\n0.000000 0.731861 0.731861 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sr-Tl",
"density": 0.3599472970033645,
"density_atomic": 0.0021465723391848324,
"volume": 1863.435919200847,
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"formula_full": "Sr2 Mg1 Tl1",
"formula_reduced": "Sr2MgTl",
"formula_anonymous": "ABC2",
"energy": -2.43945031,
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"energy_uncorrected": -2.43945031,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:51.767000Z",
"spacegroup": 71
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{
"id": "mp-1097264",
"created_at": "2022-09-04T14:44:41.733018Z",
"structure_string": "Ba1 Sr1 Li2\n1.0\n-6.924035 7.503776 9.626771\n6.924035 -7.503776 9.626771\n6.924035 7.503776 -9.626771\nBa Sr Li\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.245886 0.000000 0.245886 Li\n0.754114 0.000000 0.754114 Li\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Li-Sr",
"density": 0.1982240794472177,
"density_atomic": 0.0019993104838442514,
"volume": 2000.6897539539962,
"volume_molar": 301.2108828850183,
"formula_full": "Ba1 Sr1 Li2",
"formula_reduced": "BaSrLi2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -2.45863386,
"band_gap": 0.3457000000000001,
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"updated_at": "2021-11-28T01:36:46.308000Z",
"spacegroup": 71
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{
"id": "mp-1096191",
"created_at": "2022-09-04T14:41:23.447638Z",
"structure_string": "Sr2 Tl1 Zn1\n1.0\n-6.678886 6.935095 9.774679\n6.678886 -6.935095 9.774679\n6.678886 6.935095 -9.774679\nSr Tl Zn\n2 1 1\ndirect\n0.000000 0.259326 0.259326 Sr\n0.000000 0.740674 0.740674 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
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"chemical_system": "Sr-Tl-Zn",
"density": 0.4080578054107514,
"density_atomic": 0.0022087219675960184,
"volume": 1811.002044930814,
"volume_molar": 272.65273078053013,
"formula_full": "Sr2 Tl1 Zn1",
"formula_reduced": "Sr2TlZn",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -2.46536251,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9995963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.104000Z",
"spacegroup": 71
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{
"id": "mp-1097233",
"created_at": "2022-09-04T14:45:55.108501Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-5.764739 6.117765 8.610543\n5.764739 -6.117765 8.610543\n5.764739 6.117765 -8.610543\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254056 0.254056 Hg\n0.000000 0.745944 0.745944 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Na",
"density": 0.6751787954370948,
"density_atomic": 0.003293040107974881,
"volume": 1214.683049354014,
"volume_molar": 182.8748075498975,
"formula_full": "Na1 Ga1 Hg2",
"formula_reduced": "NaGaHg2",
"formula_anonymous": "ABC2",
"energy": -2.48039593,
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"energy_uncorrected": -2.48039593,
"band_gap": 0.0,
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"total_magnetization": 0.0180039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.436000Z",
"spacegroup": 71
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{
"id": "mp-1096458",
"created_at": "2022-09-04T14:39:47.711976Z",
"structure_string": "Na1 Tl1 Cd2\n1.0\n-6.044578 6.146596 8.418492\n6.044578 -6.146596 8.418492\n6.044578 6.146596 -8.418492\nNa Tl Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249998 0.249998 Cd\n0.000000 0.750002 0.750002 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Na-Tl",
"density": 0.6001778590395918,
"density_atomic": 0.0031971649360757522,
"volume": 1251.1084288662503,
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"formula_full": "Na1 Tl1 Cd2",
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"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 71
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{
"id": "mp-1096303",
"created_at": "2022-09-04T14:39:44.885388Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Mg-Zn",
"density": 0.3262489917037634,
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"volume": 935.2083130796618,
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"formula_full": "Mg2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:34:40.439000Z",
"spacegroup": 71
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{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 2,
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"elements": [
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"density": 2.264361564943383,
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"volume": 77.35747118760779,
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"formula_full": "Ca1 Zn1",
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"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 216
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{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
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"volume": 31.114928163376767,
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"formula_full": "Zn2",
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"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
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{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
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"elements": [
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"density": 0.315794011479698,
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"volume": 1446.7443331227453,
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"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
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"updated_at": "2021-11-28T01:38:31.078000Z",
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]
}