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{
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"results": [
{
"id": "mp-1094583",
"created_at": "2022-09-04T14:43:08.808083Z",
"structure_string": "Mg4 Sb2\n1.0\n1.618299 6.419642 0.000000\n-1.618299 6.419642 0.000000\n0.000000 2.124702 6.989828\nMg Sb\n4 2\ndirect\n0.305661 0.305661 0.138105 Mg\n0.027517 0.027517 0.190973 Mg\n0.972483 0.972483 0.809027 Mg\n0.694339 0.694339 0.861895 Mg\n0.632449 0.632449 0.472603 Sb\n0.367551 0.367551 0.527397 Sb\n",
"nsites": 6,
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"elements": [
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"density": 3.895885246831718,
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"volume": 145.23325141915407,
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{
"id": "mp-1094486",
"created_at": "2022-09-04T14:42:10.489058Z",
"structure_string": "Mg5 Ti1\n1.0\n1.551738 5.806266 0.000000\n-1.551738 5.806266 0.000000\n0.000000 1.891576 7.218984\nMg Ti\n5 1\ndirect\n0.001823 0.001823 0.007527 Mg\n0.333172 0.333172 0.330989 Mg\n0.946807 0.946807 0.606361 Mg\n0.665835 0.665835 0.659607 Mg\n0.274703 0.274703 0.950359 Mg\n0.610992 0.610992 0.278490 Ti\n",
"nsites": 6,
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"elements": [
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"formula_full": "Mg5 Ti1",
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"updated_at": "2021-11-28T01:35:39.073000Z",
"spacegroup": 8
},
{
"id": "mp-1001824",
"created_at": "2022-09-04T14:39:13.161323Z",
"structure_string": "Ir1 C1\n1.0\n0.000000 2.203378 2.203378\n2.203378 0.000000 2.203378\n2.203378 2.203378 0.000000\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
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"elements": [
"Ir",
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],
"chemical_system": "C-Ir",
"density": 15.851367020381009,
"density_atomic": 0.09348307155997435,
"volume": 21.394247820760725,
"volume_molar": 6.441958591547218,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -15.21808914,
"energy_per_atom": -7.60904457,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -15.21808914,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.5130612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.008000Z",
"spacegroup": 225
},
{
"id": "mp-1052023",
"created_at": "2022-09-04T14:46:15.453961Z",
"structure_string": "Mg4 Cu2\n1.0\n-4.161777 3.219816 -0.271859\n0.015168 -6.419717 -0.009915\n-1.127862 3.219255 4.016100\nMg Cu\n4 2\ndirect\n0.913578 0.078985 0.080283 Mg\n0.252956 0.087631 0.419788 Mg\n0.412799 0.745986 0.579338 Mg\n0.753723 0.420584 0.920663 Mg\n0.333345 0.583343 0.000182 Cu\n0.833603 0.583469 0.499742 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg",
"density": 3.418427668889785,
"density_atomic": 0.05506505030595009,
"volume": 108.96203611298012,
"volume_molar": 10.936411982809492,
"formula_full": "Mg4 Cu2",
"formula_reduced": "Mg2Cu",
"formula_anonymous": "AB2",
"energy": -15.21713377,
"energy_per_atom": -2.536188961666667,
"energy_above_hull": null,
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"energy_uncorrected": -15.21713377,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.776000Z",
"spacegroup": 140
},
{
"id": "mp-1067758",
"created_at": "2022-09-04T14:39:46.874350Z",
"structure_string": "Bi4\n1.0\n4.577571 0.000000 0.000000\n0.000000 4.613294 0.000000\n0.000000 1.512012 6.642218\nBi\n4\ndirect\n0.250000 0.855686 0.214821 Bi\n0.750000 0.144314 0.785179 Bi\n0.250000 0.677167 0.682104 Bi\n0.750000 0.322833 0.317896 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
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"chemical_system": "Bi",
"density": 9.895899999797473,
"density_atomic": 0.02851679045798503,
"volume": 140.26823971980178,
"volume_molar": 21.117877093751737,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.21669958,
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"energy_uncorrected": -15.21669958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.940000Z",
"spacegroup": 11
},
{
"id": "mp-1186729",
"created_at": "2022-09-04T14:47:24.056347Z",
"structure_string": "Pr2 Mg1 In1\n1.0\n0.000000 3.905133 3.905133\n3.905133 0.000000 3.905133\n3.905133 3.905133 0.000000\nPr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"In"
],
"chemical_system": "In-Mg-Pr",
"density": 5.868539822255531,
"density_atomic": 0.03358323334084957,
"volume": 119.107054386408,
"volume_molar": 17.93198617559811,
"formula_full": "Pr2 Mg1 In1",
"formula_reduced": "Pr2MgIn",
"formula_anonymous": "ABC2",
"energy": -15.21667498,
"energy_per_atom": -3.804168745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -15.21667498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0450248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.507000Z",
"spacegroup": 225
},
{
"id": "mp-1187130",
"created_at": "2022-09-04T14:43:41.124702Z",
"structure_string": "Sr3 Eu1\n1.0\n0.000000 4.669799 4.669799\n4.669799 0.000000 4.669799\n4.669799 4.669799 0.000000\nSr Eu\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Eu"
],
"chemical_system": "Eu-Sr",
"density": 3.3821153322737394,
"density_atomic": 0.019639726346156662,
"volume": 203.6688255986198,
"volume_molar": 30.663058404469496,
"formula_full": "Sr3 Eu1",
"formula_reduced": "Sr3Eu",
"formula_anonymous": "AB3",
"energy": -15.21651388,
"energy_per_atom": -3.80412847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -15.21651388,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.041000Z",
"spacegroup": 225
},
{
"id": "mp-972495",
"created_at": "2022-09-04T14:47:08.071623Z",
"structure_string": "U1 Sn1\n1.0\n1.555523 -2.694244 0.000000\n1.555523 2.694244 0.000000\n0.000000 0.000000 5.480864\nU Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Sn"
],
"chemical_system": "Sn-U",
"density": 12.894579843536388,
"density_atomic": 0.043534906178678466,
"volume": 45.940147241652134,
"volume_molar": 13.832901661217745,
"formula_full": "U1 Sn1",
"formula_reduced": "USn",
"formula_anonymous": "AB",
"energy": -15.2156836,
"energy_per_atom": -7.6078418,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.108000Z",
"spacegroup": 187
},
{
"id": "mp-1210906",
"created_at": "2022-09-04T14:42:41.676016Z",
"structure_string": "Na2 Mn1 Sb2\n1.0\n7.170212 0.000000 0.000000\n0.000000 7.170212 0.000000\n0.000000 0.000000 14.564347\nNa Mn Sb\n2 1 2\ndirect\n0.500000 0.500000 0.623620 Na\n0.500000 0.500000 0.376380 Na\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.172583 Sb\n0.500000 0.500000 0.827417 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Mn-Na-Sb",
"density": 0.7638439101873771,
"density_atomic": 0.006677516866572626,
"volume": 748.7813359229078,
"volume_molar": 90.18533206777191,
"formula_full": "Na2 Mn1 Sb2",
"formula_reduced": "Na2MnSb2",
"formula_anonymous": "AB2C2",
"energy": -15.215566250000002,
"energy_per_atom": -3.04311325,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:51.622000Z",
"spacegroup": 123
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{
"id": "mp-1223742",
"created_at": "2022-09-04T14:43:58.971585Z",
"structure_string": "Ho1 Cu1 Ge1\n1.0\n2.105936 -3.647589 0.000000\n2.105936 3.647589 0.000000\n0.000000 0.000000 3.668022\nHo Cu Ge\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Ge\n",
"nsites": 3,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-Ge-Ho",
"density": 8.872998296054153,
"density_atomic": 0.05323634871787494,
"volume": 56.35247480811363,
"volume_molar": 11.31208451562714,
"formula_full": "Ho1 Cu1 Ge1",
"formula_reduced": "HoCuGe",
"formula_anonymous": "ABC",
"energy": -15.21504745,
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"updated_at": "2021-11-28T01:36:21.044000Z",
"spacegroup": 187
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{
"id": "mp-1096305",
"created_at": "2022-09-04T14:48:12.605421Z",
"structure_string": "Hf1 Zr1 Au2\n1.0\n-5.377714 5.775218 8.001893\n5.377714 -5.775218 8.001893\n5.377714 5.775218 -8.001893\nHf Zr Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.255681 0.255681 Au\n0.000000 0.744319 0.744319 Au\n",
"nsites": 4,
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"density": 1.108581197061355,
"density_atomic": 0.004023844379119358,
"volume": 994.0742293009413,
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"formula_full": "Hf1 Zr1 Au2",
"formula_reduced": "HfZrAu2",
"formula_anonymous": "ABC2",
"energy": -15.21331862,
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"updated_at": "2021-11-28T01:38:40.082000Z",
"spacegroup": 71
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{
"id": "mp-1063779",
"created_at": "2022-09-04T14:42:52.678571Z",
"structure_string": "Cs2 O2\n1.0\n2.037513 -6.223262 0.000000\n2.037513 6.223262 0.000000\n0.000000 0.000000 4.449760\nCs O\n2 2\ndirect\n0.625065 0.374935 0.750000 Cs\n0.374935 0.625065 0.250000 Cs\n0.883179 0.116821 0.750000 O\n0.116821 0.883179 0.250000 O\n",
"nsites": 4,
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"density": 4.382307873960818,
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"volume": 112.84571093484426,
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"formula_full": "Cs2 O2",
"formula_reduced": "CsO",
"formula_anonymous": "AB",
"energy": -15.21048968,
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"updated_at": "2021-11-28T01:35:52.021000Z",
"spacegroup": 63
}
]
}