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{
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{
"id": "mp-1096563",
"created_at": "2022-09-04T14:39:25.922820Z",
"structure_string": "Ti2 Zn1 W1\n1.0\n-5.022320 5.453602 7.693741\n5.022320 -5.453602 7.693741\n5.022320 5.453602 -7.693741\nTi Zn W\n2 1 1\ndirect\n0.000000 0.280763 0.280763 Ti\n0.000000 0.719237 0.719237 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 W\n",
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"volume": 842.9180900261576,
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{
"id": "mp-1096261",
"created_at": "2022-09-04T14:48:07.977942Z",
"structure_string": "Mg1 Ga1 Pt2\n1.0\n-4.795613 5.573196 7.882486\n4.795613 -5.573196 7.882486\n4.795613 5.573196 -7.882486\nMg Ga Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.259053 0.259053 Pt\n0.000000 0.740947 0.740947 Pt\n",
"nsites": 4,
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"density": 0.954110444152198,
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"volume": 842.69738248793,
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"updated_at": "2021-11-28T01:38:31.334000Z",
"spacegroup": 71
},
{
"id": "mp-1096538",
"created_at": "2022-09-04T14:46:00.002287Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-4.677771 5.733713 7.852329\n4.677771 -5.733713 7.852329\n4.677771 5.733713 -7.852329\nAl Ni Pt\n2 1 1\ndirect\n0.500000 0.250699 0.750699 Al\n0.500000 0.749301 0.249301 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ni-Pt",
"density": 0.606597105593812,
"density_atomic": 0.0047481737716066974,
"volume": 842.429151165306,
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"formula_full": "Al2 Ni1 Pt1",
"formula_reduced": "Al2NiPt",
"formula_anonymous": "ABC2",
"energy": -12.86163237,
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"energy_uncorrected": -12.86163237,
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"updated_at": "2021-11-28T01:37:19.309000Z",
"spacegroup": 71
},
{
"id": "mp-1095842",
"created_at": "2022-09-04T14:47:13.854032Z",
"structure_string": "Mn2 Co1 Ir1\n1.0\n-4.801613 5.565784 7.878574\n4.801613 -5.565784 7.878574\n4.801613 5.565784 -7.878574\nMn Co Ir\n2 1 1\ndirect\n0.000000 0.252068 0.252068 Mn\n0.000000 0.747932 0.747932 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Ir-Mn",
"density": 0.7118144633568964,
"density_atomic": 0.004749401440197592,
"volume": 842.2113923967619,
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"formula_full": "Mn2 Co1 Ir1",
"formula_reduced": "Mn2CoIr",
"formula_anonymous": "ABC2",
"energy": -21.98437206,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:58.870000Z",
"spacegroup": 71
},
{
"id": "mp-1095828",
"created_at": "2022-09-04T14:46:55.547071Z",
"structure_string": "Zr1 Ga1 Ir2\n1.0\n-4.678889 5.622124 8.000842\n4.678889 -5.622124 8.000842\n4.678889 5.622124 -8.000842\nZr Ga Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.260411 0.260411 Ir\n0.000000 0.739589 0.739589 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Ir-Zr",
"density": 1.0757472724649255,
"density_atomic": 0.0047513950791894955,
"volume": 841.8580087182163,
"volume_molar": 126.74468571086014,
"formula_full": "Zr1 Ga1 Ir2",
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"energy_uncorrected": -20.11539642,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:47.910000Z",
"spacegroup": 71
},
{
"id": "mp-1096415",
"created_at": "2022-09-04T14:42:16.472059Z",
"structure_string": "Hf1 Sc1 Tc2\n1.0\n-4.682609 5.637346 7.972295\n4.682609 -5.637346 7.972295\n4.682609 5.637346 -7.972295\nHf Sc Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.252077 0.252077 Tc\n0.000000 0.747923 0.747923 Tc\n",
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"elements": [
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"Sc",
"Tc"
],
"chemical_system": "Hf-Sc-Tc",
"density": 0.8274068746955519,
"density_atomic": 0.004751755136362117,
"volume": 841.7942181806845,
"volume_molar": 126.73508182095586,
"formula_full": "Hf1 Sc1 Tc2",
"formula_reduced": "HfScTc2",
"formula_anonymous": "ABC2",
"energy": -23.36985523,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -23.36985523,
"band_gap": 0.0905,
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"total_magnetization": 2.9999769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.319000Z",
"spacegroup": 71
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{
"id": "mp-1096376",
"created_at": "2022-09-04T14:45:07.176383Z",
"structure_string": "Hf1 Sc1 Pd2\n1.0\n-4.965714 5.383749 7.870506\n4.965714 -5.383749 7.870506\n4.965714 5.383749 -7.870506\nHf Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.259363 0.259363 Pd\n0.000000 0.740637 0.740637 Pd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Pd"
],
"chemical_system": "Hf-Pd-Sc",
"density": 0.8607779520288227,
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"volume": 841.6453969059737,
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"formula_full": "Hf1 Sc1 Pd2",
"formula_reduced": "HfScPd2",
"formula_anonymous": "ABC2",
"energy": -18.14423395,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.370000Z",
"spacegroup": 71
},
{
"id": "mp-1097392",
"created_at": "2022-09-04T14:39:05.542122Z",
"structure_string": "Hf2 Mn1 Tc1\n1.0\n-4.649635 5.654562 8.002524\n4.649635 -5.654562 8.002524\n4.649635 5.654562 -8.002524\nHf Mn Tc\n2 1 1\ndirect\n0.000000 0.260259 0.260259 Hf\n0.000000 0.739741 0.739741 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
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"density": 1.0061081565427166,
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"volume": 841.5982208080296,
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"formula_full": "Hf2 Mn1 Tc1",
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"energy": -25.10938888,
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"energy_uncorrected": -25.10938888,
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"updated_at": "2021-11-28T01:34:24.635000Z",
"spacegroup": 71
},
{
"id": "mp-1093646",
"created_at": "2022-09-04T14:40:09.791712Z",
"structure_string": "Sn1 Rh2 Au1\n1.0\n-5.075099 5.414382 7.656839\n5.075099 -5.414382 7.656839\n5.075099 5.414382 -7.656839\nSn Rh Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.000000 0.243236 0.243236 Rh\n0.000000 0.756764 0.756764 Rh\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.0289402103575311,
"density_atomic": 0.004752882446974235,
"volume": 841.5945575398077,
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"formula_full": "Sn1 Rh2 Au1",
"formula_reduced": "SnRh2Au",
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"energy": -13.44753697,
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"updated_at": "2021-11-28T01:34:55.918000Z",
"spacegroup": 71
},
{
"id": "mp-1093709",
"created_at": "2022-09-04T14:41:49.847281Z",
"structure_string": "Sc1 Cu2 Ag1\n1.0\n-4.980115 5.472206 7.720009\n4.980115 -5.472206 7.720009\n4.980115 5.472206 -7.720009\nSc Cu Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.248768 0.248768 Cu\n0.000000 0.751232 0.751232 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.5523284160214941,
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"formula_full": "Sc1 Cu2 Ag1",
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"updated_at": "2021-11-28T01:35:27.768000Z",
"spacegroup": 71
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{
"id": "mp-1097477",
"created_at": "2022-09-04T14:43:37.753523Z",
"structure_string": "Sc1 Ge1 Pd2\n1.0\n-4.680240 5.601958 8.023091\n4.680240 -5.601958 8.023091\n4.680240 5.601958 -8.023091\nSc Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ge\n0.000000 0.244295 0.244295 Pd\n0.000000 0.755705 0.755705 Pd\n",
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"density": 0.6521187031573739,
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"volume": 841.413899382032,
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"formula_full": "Sc1 Ge1 Pd2",
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"updated_at": "2021-11-28T01:36:13.656000Z",
"spacegroup": 71
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{
"id": "mp-1096011",
"created_at": "2022-09-04T14:40:35.830905Z",
"structure_string": "Mg1 Ge1 Ru2\n1.0\n-5.029634 5.446346 7.677582\n5.029634 -5.446346 7.677582\n5.029634 5.446346 -7.677582\nMg Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.272539 0.272539 Ru\n0.000000 0.727461 0.727461 Ru\n",
"nsites": 4,
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"density": 0.5903610054200824,
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"volume": 841.2519156489102,
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"formula_full": "Mg1 Ge1 Ru2",
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"updated_at": "2021-11-28T01:35:06.234000Z",
"spacegroup": 71
}
]
}