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{
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"results": [
{
"id": "mp-1093860",
"created_at": "2022-09-04T14:46:10.828680Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1093776",
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"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mg2 Zn1 Cu1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
},
{
"id": "mp-1097662",
"created_at": "2022-09-04T14:48:10.013994Z",
"structure_string": "Nb1 In1 Tc2\n1.0\n-4.974857 5.723510 7.965897\n4.974857 -5.723510 7.965897\n4.974857 5.723510 -7.965897\nNb In Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n0.000000 0.223861 0.223861 Tc\n0.000000 0.776139 0.776139 Tc\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Nb-Tc",
"density": 0.7389181736837787,
"density_atomic": 0.004408818960681663,
"volume": 907.2724545218218,
"volume_molar": 136.59306072002775,
"formula_full": "Nb1 In1 Tc2",
"formula_reduced": "NbInTc2",
"formula_anonymous": "ABC2",
"energy": -20.54256467,
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"energy_above_hull": null,
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"energy_uncorrected": -20.54256467,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0646315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.603000Z",
"spacegroup": 71
},
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Rb-S",
"density": 0.43026736970699225,
"density_atomic": 0.004409204350965699,
"volume": 453.5965767977985,
"volume_molar": 136.58112168652465,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
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"energy_above_hull": null,
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"energy_uncorrected": -4.93895915,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
},
{
"id": "mp-1096374",
"created_at": "2022-09-04T14:43:41.228918Z",
"structure_string": "Tl1 Cu1 Pd2\n1.0\n-4.950188 5.695512 8.044062\n4.950188 -5.695512 8.044062\n4.950188 5.695512 -8.044062\nTl Cu Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.242132 0.242132 Pd\n0.000000 0.757868 0.757868 Pd\n",
"nsites": 4,
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"elements": [
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"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Tl",
"density": 0.8800269255944968,
"density_atomic": 0.004409304853992591,
"volume": 907.1724755837718,
"volume_molar": 136.5780085390784,
"formula_full": "Tl1 Cu1 Pd2",
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"formula_anonymous": "ABC2",
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"band_gap": 0.4597000000000002,
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"total_magnetization": 1.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.964000Z",
"spacegroup": 71
},
{
"id": "mp-1096065",
"created_at": "2022-09-04T14:39:23.356340Z",
"structure_string": "Hf2 Mn1 Re1\n1.0\n-4.926277 5.707865 8.064676\n4.926277 -5.707865 8.064676\n4.926277 5.707865 -8.064676\nHf Mn Re\n2 1 1\ndirect\n0.000000 0.264124 0.264124 Hf\n0.000000 0.735876 0.735876 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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"Mn",
"Re"
],
"chemical_system": "Hf-Mn-Re",
"density": 1.0949685583673117,
"density_atomic": 0.004409816872684869,
"volume": 907.0671448460043,
"volume_molar": 136.56215062584866,
"formula_full": "Hf2 Mn1 Re1",
"formula_reduced": "Hf2MnRe",
"formula_anonymous": "ABC2",
"energy": -25.76579193,
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"formation_energy": null,
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"energy_uncorrected": -25.76579193,
"band_gap": 0.0745,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.193000Z",
"spacegroup": 71
},
{
"id": "mp-1097596",
"created_at": "2022-09-04T14:47:03.637201Z",
"structure_string": "Sc2 Zn1 Rh1\n1.0\n-5.131934 5.608961 7.876625\n5.131934 -5.608961 7.876625\n5.131934 5.608961 -7.876625\nSc Zn Rh\n2 1 1\ndirect\n0.000000 0.283519 0.283519 Sc\n0.000000 0.716481 0.716481 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
"Sc",
"Zn",
"Rh"
],
"chemical_system": "Rh-Sc-Zn",
"density": 0.47280925246494565,
"density_atomic": 0.00441058653951679,
"volume": 906.9088576228746,
"volume_molar": 136.53831992739376,
"formula_full": "Sc2 Zn1 Rh1",
"formula_reduced": "Sc2ZnRh",
"formula_anonymous": "ABC2",
"energy": -13.97512358,
"energy_per_atom": -3.493780895,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -13.97512358,
"band_gap": 0.1286999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.328000Z",
"spacegroup": 71
},
{
"id": "mp-1096225",
"created_at": "2022-09-04T14:43:23.811915Z",
"structure_string": "Y1 Sn1 Ru2\n1.0\n-4.927580 5.770676 7.972104\n4.927580 -5.770676 7.972104\n4.927580 5.770676 -7.972104\nY Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Sn\n0.000000 0.242779 0.242779 Ru\n0.000000 0.757221 0.757221 Ru\n",
"nsites": 4,
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"elements": [
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"Sn",
"Ru"
],
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"density": 0.7503794608100595,
"density_atomic": 0.004411300766515195,
"volume": 906.7620213889629,
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"formula_full": "Y1 Sn1 Ru2",
"formula_reduced": "YSnRu2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:15.380000Z",
"spacegroup": 71
},
{
"id": "mp-1096624",
"created_at": "2022-09-04T14:40:26.049740Z",
"structure_string": "Li1 Sn2 Ir1\n1.0\n-5.305398 5.559124 7.681842\n5.305398 -5.559124 7.681842\n5.305398 5.559124 -7.681842\nLi Sn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.263504 0.263504 Sn\n0.000000 0.736496 0.736496 Sn\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Sn",
"Ir"
],
"chemical_system": "Ir-Li-Sn",
"density": 0.7999470700527492,
"density_atomic": 0.0044137761023890585,
"volume": 906.2534907094421,
"volume_molar": 136.4396521323403,
"formula_full": "Li1 Sn2 Ir1",
"formula_reduced": "LiSn2Ir",
"formula_anonymous": "ABC2",
"energy": -11.61477067,
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"updated_at": "2021-11-28T01:34:57.154000Z",
"spacegroup": 71
},
{
"id": "mp-1093889",
"created_at": "2022-09-04T14:45:30.779851Z",
"structure_string": "Li2 Zn1 Ag1\n1.0\n-5.335764 5.479025 7.741923\n5.335764 -5.479025 7.741923\n5.335764 5.479025 -7.741923\nLi Zn Ag\n2 1 1\ndirect\n0.000000 0.257928 0.257928 Li\n0.000000 0.742072 0.742072 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.34328240495637835,
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"volume": 905.333797440317,
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"formula_full": "Li2 Zn1 Ag1",
"formula_reduced": "Li2ZnAg",
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"updated_at": "2021-11-28T01:36:57.399000Z",
"spacegroup": 71
},
{
"id": "mp-1097670",
"created_at": "2022-09-04T14:45:24.471370Z",
"structure_string": "Cd1 Pd2 Au1\n1.0\n-5.199549 5.552307 7.838015\n5.199549 -5.552307 7.838015\n5.199549 5.552307 -7.838015\nCd Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.253891 0.253891 Pd\n0.000000 0.746109 0.746109 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"volume": 905.1180550583308,
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"formula_full": "Cd1 Pd2 Au1",
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"updated_at": "2021-11-28T01:37:01.357000Z",
"spacegroup": 71
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{
"id": "mp-1095805",
"created_at": "2022-09-04T14:47:32.944391Z",
"structure_string": "Zr2 Re1 Pt1\n1.0\n-4.886396 5.714210 8.100380\n4.886396 -5.714210 8.100380\n4.886396 5.714210 -8.100380\nZr Re Pt\n2 1 1\ndirect\n0.000000 0.240343 0.240343 Zr\n0.000000 0.759657 0.759657 Zr\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 1.034705928515051,
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"volume": 904.7117708211724,
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"formula_full": "Zr2 Re1 Pt1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:16.825000Z",
"spacegroup": 71
}
]
}