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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=136",
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"results": [
{
"id": "mp-1096113",
"created_at": "2022-09-04T14:42:29.153661Z",
"structure_string": "Mg1 Nb1 Ir2\n1.0\n-4.880222 5.465014 7.729398\n4.880222 -5.465014 7.729398\n4.880222 5.465014 -7.729398\nMg Nb Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Nb\n0.000000 0.275612 0.275612 Ir\n0.000000 0.724388 0.724388 Ir\n",
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"elements": [
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],
"chemical_system": "Ir-Mg-Nb",
"density": 1.0102047246465444,
"density_atomic": 0.004850912850301456,
"volume": 824.5870671025194,
"volume_molar": 124.14448467417343,
"formula_full": "Mg1 Nb1 Ir2",
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"updated_at": "2021-11-28T01:35:52.519000Z",
"spacegroup": 71
},
{
"id": "mp-1182806",
"created_at": "2022-09-04T14:45:23.282095Z",
"structure_string": "K16 Fe4\n1.0\n-6.428810 6.428822 24.936320\n6.428810 -6.428822 24.936320\n6.428822 6.428810 -24.936320\nK Fe\n16 4\ndirect\n0.773093 0.120274 0.009822 K\n0.110452 0.763272 0.990178 K\n0.639548 0.486728 0.509822 K\n0.976907 0.129726 0.490178 K\n0.879726 0.889548 0.652820 K\n0.236728 0.226907 0.347180 K\n0.513272 0.023093 0.152820 K\n0.870274 0.360452 0.847180 K\n0.609176 0.637768 0.354025 K\n0.283742 0.255151 0.645975 K\n0.466258 0.994849 0.854025 K\n0.140824 0.612232 0.145975 K\n0.362232 0.716258 0.971409 K\n0.744849 0.390824 0.028591 K\n0.005151 0.859176 0.471409 K\n0.387768 0.533742 0.528591 K\n0.993234 0.493234 0.500000 Fe\n0.756766 0.756766 0.000000 Fe\n0.506766 0.006766 0.500000 Fe\n0.243234 0.243234 0.000000 Fe\n",
"nsites": 20,
"nelements": 2,
"elements": [
"K",
"Fe"
],
"chemical_system": "Fe-K",
"density": 0.3419623530735992,
"density_atomic": 0.004851495691024751,
"volume": 4122.440021331962,
"volume_molar": 124.12957041559238,
"formula_full": "K16 Fe4",
"formula_reduced": "K4Fe",
"formula_anonymous": "AB4",
"energy": -22.63777891,
"energy_per_atom": -1.1318889455,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.926000Z",
"spacegroup": 88
},
{
"id": "mp-1093635",
"created_at": "2022-09-04T14:40:29.352066Z",
"structure_string": "Nb1 Tc2 Sb1\n1.0\n-4.759954 5.563642 7.780649\n4.759954 -5.563642 7.780649\n4.759954 5.563642 -7.780649\nNb Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.232884 0.232884 Tc\n0.000000 0.767116 0.767116 Tc\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Tc",
"Sb"
],
"chemical_system": "Nb-Sb-Tc",
"density": 0.8273713905906624,
"density_atomic": 0.0048531335598066445,
"volume": 824.2097504028645,
"volume_molar": 124.08767831726293,
"formula_full": "Nb1 Tc2 Sb1",
"formula_reduced": "NbTc2Sb",
"formula_anonymous": "ABC2",
"energy": -21.89021559,
"energy_per_atom": -5.4725538975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -21.69821559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.780000Z",
"spacegroup": 71
},
{
"id": "mp-1096105",
"created_at": "2022-09-04T14:45:18.185558Z",
"structure_string": "Ti2 Nb1 Pb1\n1.0\n-4.932667 5.000294 8.349396\n4.932667 -5.000294 8.349396\n4.932667 5.000294 -8.349396\nTi Nb Pb\n2 1 1\ndirect\n0.000000 0.223074 0.223074 Ti\n0.000000 0.776926 0.776926 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Pb"
],
"chemical_system": "Nb-Pb-Ti",
"density": 0.797952066484032,
"density_atomic": 0.004855876164791834,
"volume": 823.7442356958202,
"volume_molar": 124.01759343997114,
"formula_full": "Ti2 Nb1 Pb1",
"formula_reduced": "Ti2NbPb",
"formula_anonymous": "ABC2",
"energy": -17.01386996,
"energy_per_atom": -4.25346749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -17.01386996,
"band_gap": 0.2406000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.729000Z",
"spacegroup": 71
},
{
"id": "mp-1097226",
"created_at": "2022-09-04T14:46:11.723946Z",
"structure_string": "Mn1 Pd1 Au2\n1.0\n-5.052376 5.368658 7.591956\n5.052376 -5.368658 7.591956\n5.052376 5.368658 -7.591956\nMn Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.241369 0.241369 Au\n0.000000 0.758631 0.758631 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pd",
"Au"
],
"chemical_system": "Au-Mn-Pd",
"density": 1.1194244775007363,
"density_atomic": 0.004856069739561161,
"volume": 823.7113992439238,
"volume_molar": 124.01264979658666,
"formula_full": "Mn1 Pd1 Au2",
"formula_reduced": "MnPdAu2",
"formula_anonymous": "ABC2",
"energy": -14.54707933,
"energy_per_atom": -3.6367698325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -14.54707933,
"band_gap": 0.6412,
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"is_magnetic": true,
"total_magnetization": 5.0000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.924000Z",
"spacegroup": 71
},
{
"id": "mp-1093865",
"created_at": "2022-09-04T14:41:04.285446Z",
"structure_string": "Sc2 Ir1 Os1\n1.0\n-4.709857 5.559090 7.861671\n4.709857 -5.559090 7.861671\n4.709857 5.559090 -7.861671\nSc Ir Os\n2 1 1\ndirect\n0.000000 0.251352 0.251352 Sc\n0.000000 0.748648 0.748648 Sc\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Os"
],
"chemical_system": "Ir-Os-Sc",
"density": 0.9526532360764987,
"density_atomic": 0.004858181190750676,
"volume": 823.35339974875,
"volume_molar": 123.95875171278804,
"formula_full": "Sc2 Ir1 Os1",
"formula_reduced": "Sc2IrOs",
"formula_anonymous": "ABC2",
"energy": -22.4154083,
"energy_per_atom": -5.603852075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.4154083,
"band_gap": 0.4939,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.937000Z",
"spacegroup": 71
},
{
"id": "mp-1093558",
"created_at": "2022-09-04T14:46:29.617767Z",
"structure_string": "Zr1 Mn1 Rh2\n1.0\n-4.773424 5.521484 7.807114\n4.773424 -5.521484 7.807114\n4.773424 5.521484 -7.807114\nZr Mn Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.266851 0.266851 Rh\n0.000000 0.733149 0.733149 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Zr",
"density": 0.7101043288232245,
"density_atomic": 0.004859858770078939,
"volume": 823.0691855959074,
"volume_molar": 123.91596227192797,
"formula_full": "Zr1 Mn1 Rh2",
"formula_reduced": "ZrMnRh2",
"formula_anonymous": "ABC2",
"energy": -23.24361301,
"energy_per_atom": -5.8109032525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -23.24361301,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0154721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.078000Z",
"spacegroup": 71
},
{
"id": "mp-1093589",
"created_at": "2022-09-04T14:45:30.582378Z",
"structure_string": "Zn1 Sb1 Ru2\n1.0\n-5.022262 5.383708 7.608898\n5.022262 -5.383708 7.608898\n5.022262 5.383708 -7.608898\nZn Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sb\n0.000000 0.257555 0.257555 Ru\n0.000000 0.742445 0.742445 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zn",
"density": 0.7855628296683416,
"density_atomic": 0.004860683865743161,
"volume": 822.9294705197683,
"volume_molar": 123.89492767555788,
"formula_full": "Zn1 Sb1 Ru2",
"formula_reduced": "ZnSbRu2",
"formula_anonymous": "ABC2",
"energy": -13.00575927,
"energy_per_atom": -3.2514398175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -13.00575927,
"band_gap": 0.0113000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3810123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.884000Z",
"spacegroup": 71
},
{
"id": "mp-1096394",
"created_at": "2022-09-04T14:42:28.083853Z",
"structure_string": "Li1 Mg1 Pt2\n1.0\n-4.860699 5.497930 7.693934\n4.860699 -5.497930 7.693934\n4.860699 5.497930 -7.693934\nLi Mg Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.252626 0.252626 Pt\n0.000000 0.747374 0.747374 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Pt"
],
"chemical_system": "Li-Mg-Pt",
"density": 0.8508473975528936,
"density_atomic": 0.004863552511415305,
"volume": 822.4440860074092,
"volume_molar": 123.82185132915411,
"formula_full": "Li1 Mg1 Pt2",
"formula_reduced": "LiMgPt2",
"formula_anonymous": "ABC2",
"energy": -9.75398374,
"energy_per_atom": -2.438495935,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.75398374,
"band_gap": 0.0122999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.960000Z",
"spacegroup": 71
},
{
"id": "mp-1096480",
"created_at": "2022-09-04T14:43:17.312148Z",
"structure_string": "Zr2 Fe1 Os1\n1.0\n-4.695756 5.609245 7.804839\n4.695756 -5.609245 7.804839\n4.695756 5.609245 -7.804839\nZr Fe Os\n2 1 1\ndirect\n0.000000 0.250992 0.250992 Zr\n0.000000 0.749008 0.749008 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Fe-Os-Zr",
"density": 0.8653451470293604,
"density_atomic": 0.004864364604181893,
"volume": 822.3067811490118,
"volume_molar": 123.8011795995466,
"formula_full": "Zr2 Fe1 Os1",
"formula_reduced": "Zr2FeOs",
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"energy": -23.07809072,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:06.829000Z",
"spacegroup": 71
},
{
"id": "mp-1093977",
"created_at": "2022-09-04T14:43:51.506547Z",
"structure_string": "Ta1 Nb2 W1\n1.0\n-4.684647 5.587863 7.853220\n4.684647 -5.587863 7.853220\n4.684647 5.587863 -7.853220\nTa Nb W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.255877 0.255877 Nb\n0.000000 0.744123 0.744123 Nb\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
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"elements": [
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"density": 1.111873636888746,
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"volume": 822.3001629693704,
"volume_molar": 123.80018320931221,
"formula_full": "Ta1 Nb2 W1",
"formula_reduced": "TaNb2W",
"formula_anonymous": "ABC2",
"energy": -25.46110354,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -25.46110354,
"band_gap": 0.0268999999999999,
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"updated_at": "2021-11-28T01:36:20.223000Z",
"spacegroup": 71
},
{
"id": "mp-1097369",
"created_at": "2022-09-04T14:39:25.000865Z",
"structure_string": "Ta2 Zn1 Re1\n1.0\n-5.073328 5.354505 7.565326\n5.073328 -5.354505 7.565326\n5.073328 5.354505 -7.565326\nTa Zn Re\n2 1 1\ndirect\n0.000000 0.275317 0.275317 Ta\n0.000000 0.724683 0.724683 Ta\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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"Zn",
"Re"
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"chemical_system": "Re-Ta-Zn",
"density": 1.2392875343871912,
"density_atomic": 0.004865865310729897,
"volume": 822.0531692851123,
"volume_molar": 123.76299744097638,
"formula_full": "Ta2 Zn1 Re1",
"formula_reduced": "Ta2ZnRe",
"formula_anonymous": "ABC2",
"energy": -20.74528874,
"energy_per_atom": -5.186322185,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -20.74528874,
"band_gap": 0.0056000000000002,
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"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.176000Z",
"spacegroup": 71
}
]
}