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{
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"results": [
{
"id": "mp-1095928",
"created_at": "2022-09-04T14:41:01.374314Z",
"structure_string": "In2 Ga1 Hg1\n1.0\n-5.766367 6.009294 8.509610\n5.766367 -6.009294 8.509610\n5.766367 6.009294 -8.509610\nIn Ga Hg\n2 1 1\ndirect\n0.000000 0.236442 0.236442 In\n0.000000 0.763558 0.763558 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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{
"id": "mp-973778",
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"structure_string": "Hg3 F1\n1.0\n0.000000 3.512298 3.512298\n3.512298 0.000000 3.512298\n3.512298 3.512298 0.000000\nHg F\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 F\n",
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"elements": [
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"updated_at": "2021-11-28T01:37:20.722000Z",
"spacegroup": 225
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{
"id": "mp-975057",
"created_at": "2022-09-04T14:41:52.479792Z",
"structure_string": "Rb3 Dy1\n1.0\n6.394361 0.000000 0.000000\n0.000000 6.394361 0.000000\n0.000000 0.000000 6.394361\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"elements": [
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"density": 2.6605506384596986,
"density_atomic": 0.015299193512823345,
"volume": 261.45169002845245,
"volume_molar": 39.362471982280724,
"formula_full": "Rb3 Dy1",
"formula_reduced": "Rb3Dy",
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"energy": -5.01311319,
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"energy_uncorrected": -5.01311319,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.916000Z",
"spacegroup": 221
},
{
"id": "mp-1186031",
"created_at": "2022-09-04T14:41:55.649478Z",
"structure_string": "Na3 Cd1\n1.0\n-2.423068 2.423068 5.182185\n2.423068 -2.423068 5.182185\n2.423068 2.423068 -5.182185\nNa Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Na",
"density": 2.4747716002241686,
"density_atomic": 0.03286668350722476,
"volume": 121.70379159554443,
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"formula_full": "Na3 Cd1",
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"energy_uncorrected": -5.01409102,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.805000Z",
"spacegroup": 139
},
{
"id": "mp-1096722",
"created_at": "2022-09-04T14:40:29.342140Z",
"structure_string": "Li2 Zn1 Cu1\n1.0\n-5.099185 5.217510 7.203798\n5.099185 -5.217510 7.203798\n5.099185 5.217510 -7.203798\nLi Zn Cu\n2 1 1\ndirect\n0.235271 0.000000 0.235271 Li\n0.764729 0.000000 0.764729 Li\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
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"chemical_system": "Cu-Li-Zn",
"density": 0.3093885529380207,
"density_atomic": 0.005217643652469171,
"volume": 766.6295873055763,
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"formula_full": "Li2 Zn1 Cu1",
"formula_reduced": "Li2ZnCu",
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"energy": -5.01780661,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.328000Z",
"spacegroup": 71
},
{
"id": "mp-1226724",
"created_at": "2022-09-04T14:43:17.160099Z",
"structure_string": "Cd1 Sb1\n1.0\n3.108627 0.000000 0.000000\n0.000000 3.239193 0.000000\n0.000000 0.000000 5.474133\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Cd-Sb",
"density": 7.054421793456101,
"density_atomic": 0.036283503111218224,
"volume": 55.12146922168701,
"volume_molar": 16.597462327550343,
"formula_full": "Cd1 Sb1",
"formula_reduced": "CdSb",
"formula_anonymous": "AB",
"energy": -5.01803253,
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"energy_above_hull": null,
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"energy_uncorrected": -4.82603253,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.003000Z",
"spacegroup": 47
},
{
"id": "mp-982008",
"created_at": "2022-09-04T14:40:12.511964Z",
"structure_string": "Hg3 F1\n1.0\n-2.252410 2.252410 4.175722\n2.252410 -2.252410 4.175722\n2.252410 2.252410 -4.175722\nHg F\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Hg",
"density": 12.164443296127905,
"density_atomic": 0.04720342687804915,
"volume": 84.73961033240379,
"volume_molar": 12.757846534232149,
"formula_full": "Hg3 F1",
"formula_reduced": "Hg3F",
"formula_anonymous": "AB3",
"energy": -5.01985818,
"energy_per_atom": -1.254964545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55785818,
"band_gap": 0.0,
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"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.731000Z",
"spacegroup": 139
},
{
"id": "mp-1186875",
"created_at": "2022-09-04T14:40:56.444883Z",
"structure_string": "Rb3 Tb1\n1.0\n-3.119746 3.119746 6.805386\n3.119746 -3.119746 6.805386\n3.119746 3.119746 -6.805386\nRb Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 4,
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"elements": [
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"Tb"
],
"chemical_system": "Rb-Tb",
"density": 2.603094081269086,
"density_atomic": 0.015097629503705367,
"volume": 264.9422546114469,
"volume_molar": 39.88798876354731,
"formula_full": "Rb3 Tb1",
"formula_reduced": "Rb3Tb",
"formula_anonymous": "AB3",
"energy": -5.02007769,
"energy_per_atom": -1.2550194225,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.652000Z",
"spacegroup": 139
},
{
"id": "mp-1009491",
"created_at": "2022-09-04T14:41:36.559085Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 4.201657 4.201657\n4.201657 0.000000 4.201657\n4.201657 4.201657 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Rb-Te",
"density": 2.3849272459738864,
"density_atomic": 0.013481499863026901,
"volume": 148.35144607945386,
"volume_molar": 44.66966451200106,
"formula_full": "Rb1 Te1",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy": -5.020536219999999,
"energy_per_atom": -2.5102681099999997,
"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 216
},
{
"id": "mp-866104",
"created_at": "2022-09-04T14:39:36.620697Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n0.000000 3.681838 3.681838\n3.681838 0.000000 3.681838\n3.681838 3.681838 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Cd-Hg",
"density": 9.210331943210909,
"density_atomic": 0.04007153402304139,
"volume": 99.82148419124594,
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"formula_full": "Ca1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -5.02152542,
"energy_per_atom": -1.255381355,
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"updated_at": "2021-11-28T01:34:40.870000Z",
"spacegroup": 225
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{
"id": "mp-1186024",
"created_at": "2022-09-04T14:40:38.561225Z",
"structure_string": "Na3 Cd1\n1.0\n0.000000 3.934776 3.934776\n3.934776 0.000000 3.934776\n3.934776 3.934776 0.000000\nNa Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 2.4720041479917594,
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"volume": 121.84004113623287,
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"formula_full": "Na3 Cd1",
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"energy": -5.02368393,
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"updated_at": "2021-11-28T01:35:04.697000Z",
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{
"id": "mp-1185755",
"created_at": "2022-09-04T14:47:04.752407Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n0.000000 3.490687 3.490687\n3.490687 0.000000 3.490687\n3.490687 3.490687 0.000000\nMg Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 7.058753384479772,
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"volume": 85.06731425587932,
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"formula_full": "Mg2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:37:56.452000Z",
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]
}