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{
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"results": [
{
"id": "mp-1093955",
"created_at": "2022-09-04T14:45:29.542235Z",
"structure_string": "Y1 Hg2 Au1\n1.0\n-5.841499 6.241692 8.817641\n5.841499 -6.241692 8.817641\n5.841499 6.241692 -8.817641\nY Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.267129 0.267129 Hg\n0.000000 0.732871 0.732871 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.8871558590211424,
"density_atomic": 0.003110433680566266,
"volume": 1285.994305228776,
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"formula_full": "Y1 Hg2 Au1",
"formula_reduced": "YHg2Au",
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"spacegroup": 71
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{
"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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"In",
"Hg"
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"density": 0.7004572680600556,
"density_atomic": 0.0031094468427921014,
"volume": 1286.40243819323,
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"formula_full": "Cd1 In2 Hg1",
"formula_reduced": "CdIn2Hg",
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"energy_uncorrected": -3.08135271,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
},
{
"id": "mp-1096103",
"created_at": "2022-09-04T14:48:20.922894Z",
"structure_string": "Ca2 Hg1 Pt1\n1.0\n-5.814245 6.258198 8.840607\n5.814245 -6.258198 8.840607\n5.814245 6.258198 -8.840607\nCa Hg Pt\n2 1 1\ndirect\n0.000000 0.220629 0.220629 Ca\n0.000000 0.779371 0.779371 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pt"
],
"chemical_system": "Ca-Hg-Pt",
"density": 0.6140676427373019,
"density_atomic": 0.0031086747636789396,
"volume": 1286.721932681767,
"volume_molar": 193.7205149397211,
"formula_full": "Ca2 Hg1 Pt1",
"formula_reduced": "Ca2HgPt",
"formula_anonymous": "ABC2",
"energy": -7.31709982,
"energy_per_atom": -1.829274955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -7.31709982,
"band_gap": 0.3131999999999999,
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"is_magnetic": false,
"total_magnetization": 2.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.045000Z",
"spacegroup": 71
},
{
"id": "mp-1096300",
"created_at": "2022-09-04T14:43:37.234928Z",
"structure_string": "Y2 In1 Cu1\n1.0\n-5.840926 6.247359 8.815638\n5.840926 -6.247359 8.815638\n5.840926 6.247359 -8.815638\nY In Cu\n2 1 1\ndirect\n0.000000 0.240469 0.240469 Y\n0.000000 0.759531 0.759531 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Cu"
],
"chemical_system": "Cu-In-Y",
"density": 0.45964387489527747,
"density_atomic": 0.0031086232048371256,
"volume": 1286.7432739277829,
"volume_molar": 193.72372793940866,
"formula_full": "Y2 In1 Cu1",
"formula_reduced": "Y2InCu",
"formula_anonymous": "ABC2",
"energy": -11.07238507,
"energy_per_atom": -2.7680962675,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -11.07238507,
"band_gap": 0.1400000000000001,
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"is_magnetic": true,
"total_magnetization": 1.999877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.308000Z",
"spacegroup": 71
},
{
"id": "mp-1096609",
"created_at": "2022-09-04T14:46:53.311194Z",
"structure_string": "Sc2 Tl1 Cr1\n1.0\n-5.707331 6.304882 8.953817\n5.707331 -6.304882 8.953817\n5.707331 6.304882 -8.953817\nSc Tl Cr\n2 1 1\ndirect\n0.000000 0.250512 0.250512 Sc\n0.000000 0.749488 0.749488 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Cr"
],
"chemical_system": "Cr-Sc-Tl",
"density": 0.4461823168891156,
"density_atomic": 0.0031037144826491355,
"volume": 1288.778340392268,
"volume_molar": 194.0301143570358,
"formula_full": "Sc2 Tl1 Cr1",
"formula_reduced": "Sc2TlCr",
"formula_anonymous": "ABC2",
"energy": -14.46868896,
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"energy_uncorrected": -14.46868896,
"band_gap": 0.0653000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0030011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.718000Z",
"spacegroup": 71
},
{
"id": "mp-1097441",
"created_at": "2022-09-04T14:44:00.143731Z",
"structure_string": "Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
"chemical_system": "Hg-In-Mg",
"density": 0.6944248110651797,
"density_atomic": 0.00309598426136157,
"volume": 1291.9962319966241,
"volume_molar": 194.51457926183215,
"formula_full": "Mg1 In1 Hg2",
"formula_reduced": "MgInHg2",
"formula_anonymous": "ABC2",
"energy": -1.77012961,
"energy_per_atom": -0.4425324025,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1.77012961,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.0000375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.025000Z",
"spacegroup": 71
},
{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Sb"
],
"chemical_system": "Hg-Na-Sb",
"density": 0.7007254237105426,
"density_atomic": 0.0030918754569615797,
"volume": 1293.7131704298479,
"volume_molar": 194.77307038486035,
"formula_full": "Na1 Hg2 Sb1",
"formula_reduced": "NaHg2Sb",
"formula_anonymous": "ABC2",
"energy": -3.95917493,
"energy_per_atom": -0.9897937325,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.76717493,
"band_gap": 0.1756999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0010061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.983000Z",
"spacegroup": 71
},
{
"id": "mp-1096243",
"created_at": "2022-09-04T14:45:33.413098Z",
"structure_string": "Na1 Mg1 Hg2\n1.0\n-6.031872 6.173917 8.727031\n6.031872 -6.173917 8.727031\n6.031872 6.173917 -8.727031\nNa Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250697 0.250697 Hg\n0.000000 0.749303 0.749303 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.5728589451302678,
"density_atomic": 0.0030769509820410103,
"volume": 1299.9882101945968,
"volume_molar": 195.7177997033082,
"formula_full": "Na1 Mg1 Hg2",
"formula_reduced": "NaMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.55393485,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -1.55393485,
"band_gap": 0.0,
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"total_magnetization": 0.0007895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.394000Z",
"spacegroup": 71
},
{
"id": "mp-1093548",
"created_at": "2022-09-04T14:47:59.413755Z",
"structure_string": "Sc2 Tl1 Zn1\n1.0\n-5.781821 6.267894 8.970843\n5.781821 -6.267894 8.970843\n5.781821 6.267894 -8.970843\nSc Tl Zn\n2 1 1\ndirect\n0.000000 0.247037 0.247037 Sc\n0.000000 0.752963 0.752963 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Zn"
],
"chemical_system": "Sc-Tl-Zn",
"density": 0.45931960390810167,
"density_atomic": 0.0030759584057678865,
"volume": 1300.4077013848419,
"volume_molar": 195.78095557818915,
"formula_full": "Sc2 Tl1 Zn1",
"formula_reduced": "Sc2TlZn",
"formula_anonymous": "ABC2",
"energy": -8.28610554,
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"energy_above_hull": null,
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"energy_uncorrected": -8.28610554,
"band_gap": 0.0146000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.5066272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.830000Z",
"spacegroup": 71
},
{
"id": "mp-1093840",
"created_at": "2022-09-04T14:47:57.366261Z",
"structure_string": "Y1 In1 Hg2\n1.0\n-5.921754 6.318364 8.694315\n5.921754 -6.318364 8.694315\n5.921754 6.318364 -8.694315\nY In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.256765 0.256765 Hg\n0.000000 0.743235 0.743235 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-In-Y",
"density": 0.7719427272180944,
"density_atomic": 0.0030740407842153135,
"volume": 1301.2189104774839,
"volume_molar": 195.90308596173116,
"formula_full": "Y1 In1 Hg2",
"formula_reduced": "YInHg2",
"formula_anonymous": "ABC2",
"energy": -4.77854174,
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"energy_uncorrected": -4.77854174,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.165000Z",
"spacegroup": 71
},
{
"id": "mp-1096340",
"created_at": "2022-09-04T14:43:09.553078Z",
"structure_string": "Na1 Hg2 Bi1\n1.0\n-6.099810 6.144414 8.679739\n6.099810 -6.144414 8.679739\n6.099810 6.144414 -8.679739\nNa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.243656 0.243656 Hg\n0.000000 0.756344 0.756344 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.8079647053355242,
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"volume": 1301.258067550413,
"volume_molar": 195.90898119685437,
"formula_full": "Na1 Hg2 Bi1",
"formula_reduced": "NaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.58161702,
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"energy_above_hull": null,
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"energy_uncorrected": -3.58161702,
"band_gap": 0.1413999999999999,
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"updated_at": "2021-11-28T01:36:01.672000Z",
"spacegroup": 71
},
{
"id": "mp-1095778",
"created_at": "2022-09-04T14:45:01.022691Z",
"structure_string": "Sr1 Pb1 Au2\n1.0\n-5.731583 6.793039 8.357529\n5.731583 -6.793039 8.357529\n5.731583 6.793039 -8.357529\nSr Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.251013 0.251013 Au\n0.000000 0.748987 0.748987 Au\n",
"nsites": 4,
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"elements": [
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"Pb",
"Au"
],
"chemical_system": "Au-Pb-Sr",
"density": 0.8786908633089265,
"density_atomic": 0.003073147560861458,
"volume": 1301.5971152646925,
"volume_molar": 195.9600260233481,
"formula_full": "Sr1 Pb1 Au2",
"formula_reduced": "SrPbAu2",
"formula_anonymous": "ABC2",
"energy": -8.83870893,
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"energy_above_hull": null,
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"energy_uncorrected": -8.83870893,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0001302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.385000Z",
"spacegroup": 71
}
]
}