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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=120",
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"results": [
{
"id": "mp-1095921",
"created_at": "2022-09-04T14:44:08.702452Z",
"structure_string": "Li1 Zn2 Ag1\n1.0\n-5.234082 5.439372 7.688627\n5.234082 -5.439372 7.688627\n5.234082 5.439372 -7.688627\nLi Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251423 0.251423 Zn\n0.000000 0.748577 0.748577 Zn\n0.000000 0.500000 0.500000 Ag\n",
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"density": 0.46583003597863243,
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"volume": 875.5845048992948,
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"formula_full": "Li1 Zn2 Ag1",
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{
"id": "mp-1096611",
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"structure_string": "Zr1 Sc1 Pd2\n1.0\n-4.923546 5.452345 8.150736\n4.923546 -5.452345 8.150736\n4.923546 5.452345 -8.150736\nZr Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.237761 0.237761 Pd\n0.000000 0.762239 0.762239 Pd\n",
"nsites": 4,
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"chemical_system": "Pd-Sc-Zr",
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"volume": 875.221839442509,
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"formula_full": "Zr1 Sc1 Pd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.464000Z",
"spacegroup": 71
},
{
"id": "mp-1096592",
"created_at": "2022-09-04T14:46:37.178454Z",
"structure_string": "Hf2 Zn1 Fe1\n1.0\n-5.076576 5.429406 7.936759\n5.076576 -5.429406 7.936759\n5.076576 5.429406 -7.936759\nHf Zn Fe\n2 1 1\ndirect\n0.000000 0.206054 0.206054 Hf\n0.000000 0.793946 0.793946 Hf\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
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"elements": [
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"Zn",
"Fe"
],
"chemical_system": "Fe-Hf-Zn",
"density": 0.9075345155377788,
"density_atomic": 0.004571235503134952,
"volume": 875.0369560388655,
"volume_molar": 131.7398929866995,
"formula_full": "Hf2 Zn1 Fe1",
"formula_reduced": "Hf2ZnFe",
"formula_anonymous": "ABC2",
"energy": -17.30623937,
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"energy_above_hull": null,
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"energy_uncorrected": -17.30623937,
"band_gap": 0.5825,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.313000Z",
"spacegroup": 71
},
{
"id": "mp-1095894",
"created_at": "2022-09-04T14:48:11.043950Z",
"structure_string": "Hf1 Cd1 Pd2\n1.0\n-5.060790 5.415934 7.976378\n5.060790 -5.415934 7.976378\n5.060790 5.415934 -7.976378\nHf Cd Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cd\n0.000000 0.270559 0.270559 Pd\n0.000000 0.729441 0.729441 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-Hf-Pd",
"density": 0.9565308896307608,
"density_atomic": 0.004574067753575844,
"volume": 874.4951355110429,
"volume_molar": 131.65831999956936,
"formula_full": "Hf1 Cd1 Pd2",
"formula_reduced": "HfCdPd2",
"formula_anonymous": "ABC2",
"energy": -14.71278472,
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"energy_uncorrected": -14.71278472,
"band_gap": 0.1621000000000001,
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"updated_at": "2021-11-28T01:38:27.176000Z",
"spacegroup": 71
},
{
"id": "mp-1096356",
"created_at": "2022-09-04T14:48:12.405913Z",
"structure_string": "Sc2 Tl1 Co1\n1.0\n-5.120027 5.516289 7.736124\n5.120027 -5.516289 7.736124\n5.120027 5.516289 -7.736124\nSc Tl Co\n2 1 1\ndirect\n0.000000 0.205839 0.205839 Sc\n0.000000 0.794161 0.794161 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Sc-Tl",
"density": 0.6711227118180773,
"density_atomic": 0.004576751321230353,
"volume": 873.9823772912996,
"volume_molar": 131.58112244519086,
"formula_full": "Sc2 Tl1 Co1",
"formula_reduced": "Sc2TlCo",
"formula_anonymous": "ABC2",
"energy": -13.84461527,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -13.84461527,
"band_gap": 0.0308000000000001,
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"is_magnetic": true,
"total_magnetization": 2.0000109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.957000Z",
"spacegroup": 71
},
{
"id": "mp-1096381",
"created_at": "2022-09-04T14:47:43.064999Z",
"structure_string": "Ag1 Sn1 Pd2\n1.0\n-5.092564 5.508295 7.787409\n5.092564 -5.508295 7.787409\n5.092564 5.508295 -7.787409\nAg Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.262174 0.262174 Pd\n0.000000 0.737826 0.737826 Pd\n",
"nsites": 4,
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"elements": [
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"Sn",
"Pd"
],
"chemical_system": "Ag-Pd-Sn",
"density": 0.835065372792212,
"density_atomic": 0.004577763251949463,
"volume": 873.7891804030232,
"volume_molar": 131.552035973801,
"formula_full": "Ag1 Sn1 Pd2",
"formula_reduced": "AgSnPd2",
"formula_anonymous": "ABC2",
"energy": -11.1670594,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.1670594,
"band_gap": 0.8147000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.142000Z",
"spacegroup": 71
},
{
"id": "mp-1095822",
"created_at": "2022-09-04T14:45:34.571751Z",
"structure_string": "Zr2 Pt1 Rh1\n1.0\n-4.867828 5.617253 7.983991\n4.867828 -5.617253 7.983991\n4.867828 5.617253 -7.983991\nZr Pt Rh\n2 1 1\ndirect\n0.000000 0.242692 0.242692 Zr\n0.000000 0.757308 0.757308 Zr\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Pt",
"Rh"
],
"chemical_system": "Pt-Rh-Zr",
"density": 0.9135803640188698,
"density_atomic": 0.004580582947496767,
"volume": 873.2512970179813,
"volume_molar": 131.4710557373713,
"formula_full": "Zr2 Pt1 Rh1",
"formula_reduced": "Zr2PtRh",
"formula_anonymous": "ABC2",
"energy": -20.69549106,
"energy_per_atom": -5.173872765,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -20.69549106,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.422000Z",
"spacegroup": 71
},
{
"id": "mp-1096334",
"created_at": "2022-09-04T14:39:07.934947Z",
"structure_string": "Ti2 Ag1 Mo1\n1.0\n-4.982151 5.556345 7.886109\n4.982151 -5.556345 7.886109\n4.982151 5.556345 -7.886109\nTi Ag Mo\n2 1 1\ndirect\n0.000000 0.221649 0.221649 Ti\n0.000000 0.778351 0.778351 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
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"Ag",
"Mo"
],
"chemical_system": "Ag-Mo-Ti",
"density": 0.5696108536329587,
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"volume": 873.2304204228208,
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"formula_full": "Ti2 Ag1 Mo1",
"formula_reduced": "Ti2AgMo",
"formula_anonymous": "ABC2",
"energy": -17.07153508,
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"energy_uncorrected": -17.07153508,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:40.740000Z",
"spacegroup": 71
},
{
"id": "mp-1097377",
"created_at": "2022-09-04T14:41:59.991228Z",
"structure_string": "Cd1 Ga1 Pd2\n1.0\n-5.012973 5.546547 7.842810\n5.012973 -5.546547 7.842810\n5.012973 5.546547 -7.842810\nCd Ga Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n0.000000 0.231204 0.231204 Pd\n0.000000 0.768796 0.768796 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7519134570547432,
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"volume": 872.2676142282658,
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"formula_full": "Cd1 Ga1 Pd2",
"formula_reduced": "CdGaPd2",
"formula_anonymous": "ABC2",
"energy": -9.94301397,
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"band_gap": 0.1206,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.662000Z",
"spacegroup": 71
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{
"id": "mp-1097240",
"created_at": "2022-09-04T14:45:08.330228Z",
"structure_string": "Hf2 V1 Os1\n1.0\n-4.994639 5.549634 7.860713\n4.994639 -5.549634 7.860713\n4.994639 5.549634 -7.860713\nHf V Os\n2 1 1\ndirect\n0.000000 0.270211 0.270211 Hf\n0.000000 0.729789 0.729789 Hf\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"density": 1.1396458567203354,
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"volume": 871.5461278065529,
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"formula_full": "Hf2 V1 Os1",
"formula_reduced": "Hf2VOs",
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"updated_at": "2021-11-28T01:36:45.888000Z",
"spacegroup": 71
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{
"id": "mp-1096660",
"created_at": "2022-09-04T14:40:25.883395Z",
"structure_string": "Sc1 Pd2 Au1\n1.0\n-4.887124 5.616933 7.936637\n4.887124 -5.616933 7.936637\n4.887124 5.616933 -7.936637\nSc Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.229553 0.229553 Pd\n0.000000 0.770447 0.770447 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.8665320172790479,
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"volume": 871.463316607331,
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"formula_full": "Sc1 Pd2 Au1",
"formula_reduced": "ScPd2Au",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:50.687000Z",
"spacegroup": 71
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{
"id": "mp-1096469",
"created_at": "2022-09-04T14:45:33.550296Z",
"structure_string": "Hf2 Re1 Pt1\n1.0\n-4.875314 5.615643 7.953465\n4.875314 -5.615643 7.953465\n4.875314 5.615643 -7.953465\nHf Re Pt\n2 1 1\ndirect\n0.000000 0.237937 0.237937 Hf\n0.000000 0.762063 0.762063 Hf\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Re",
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"density": 1.4074936951982553,
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"volume": 871.0005887913891,
"volume_molar": 131.1322036936156,
"formula_full": "Hf2 Re1 Pt1",
"formula_reduced": "Hf2RePt",
"formula_anonymous": "ABC2",
"energy": -25.23255767,
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"energy_above_hull": null,
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"energy_uncorrected": -25.23255767,
"band_gap": 0.0228000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.737000Z",
"spacegroup": 71
}
]
}