HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12109",
"results": [
{
"id": "mp-1215325",
"created_at": "2022-09-04T14:40:58.841863Z",
"structure_string": "Zr2 In2 Cu2 S8\n1.0\n-3.675684 3.738183 5.371190\n3.675684 -3.738183 5.371190\n3.675684 3.738183 -5.371190\nZr In Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.374159 0.124159 0.250000 Cu\n0.625841 0.875841 0.750000 Cu\n0.246281 0.754904 0.491377 S\n0.763527 0.754904 0.008623 S\n0.756999 0.754233 0.497234 S\n0.756999 0.259765 0.002766 S\n0.753719 0.245096 0.508623 S\n0.236473 0.245096 0.991377 S\n0.243001 0.245767 0.502766 S\n0.243001 0.740235 0.997234 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S-Zr",
"density": 4.475762566121195,
"density_atomic": 0.04742406781882699,
"volume": 295.2087546239993,
"volume_molar": 12.698490528071606,
"formula_full": "Zr2 In2 Cu2 S8",
"formula_reduced": "ZrInCuS4",
"formula_anonymous": "ABCD4",
"energy": -80.22418811,
"energy_per_atom": -5.730299150714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.20018811,
"band_gap": 0.1399999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.008000Z",
"spacegroup": 74
},
{
"id": "mp-1246102",
"created_at": "2022-09-04T14:40:53.138039Z",
"structure_string": "Zr2 In2 N4\n1.0\n3.913670 0.000000 0.000000\n0.000000 3.913670 0.000000\n0.000000 0.000000 8.330794\nZr In N\n2 2 4\ndirect\n0.750000 0.750000 0.607589 Zr\n0.250000 0.250000 0.392411 Zr\n0.750000 0.750000 0.126272 In\n0.250000 0.250000 0.873728 In\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.861254 N\n0.250000 0.250000 0.138746 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"N"
],
"chemical_system": "In-N-Zr",
"density": 6.091762406964211,
"density_atomic": 0.06269532889032699,
"volume": 127.60121274735491,
"volume_molar": 9.60540580389097,
"formula_full": "Zr2 In2 N4",
"formula_reduced": "ZrInN2",
"formula_anonymous": "ABC2",
"energy": -61.84709808,
"energy_per_atom": -7.73088726,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.40309808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.818000Z",
"spacegroup": 129
},
{
"id": "mp-610738",
"created_at": "2022-09-04T14:40:43.535928Z",
"structure_string": "Zr2 In4 Br12\n1.0\n7.544078 0.000000 0.000000\n0.000000 7.544078 0.000000\n0.000000 0.000000 10.918416\nZr In Br\n2 4 12\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500000 0.250000 In\n0.000000 0.500000 0.750000 In\n0.500000 0.000000 0.750000 In\n0.500000 0.000000 0.250000 In\n0.796497 0.713048 0.500000 Br\n0.213048 0.296497 0.000000 Br\n0.500000 0.500000 0.757271 Br\n0.286952 0.796497 0.500000 Br\n0.000000 0.000000 0.257271 Br\n0.786952 0.703503 0.000000 Br\n0.703503 0.213048 0.000000 Br\n0.296497 0.786952 0.000000 Br\n0.000000 0.000000 0.742729 Br\n0.203503 0.286952 0.500000 Br\n0.500000 0.500000 0.242729 Br\n0.713048 0.203503 0.500000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"In",
"Br"
],
"chemical_system": "Br-In-Zr",
"density": 4.27711817712151,
"density_atomic": 0.02896680046935013,
"volume": 621.4010421705311,
"volume_molar": 20.789803024231308,
"formula_full": "Zr2 In4 Br12",
"formula_reduced": "Zr(InBr3)2",
"formula_anonymous": "AB2C6",
"energy": -73.80482069,
"energy_per_atom": -4.100267816111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.39682069,
"band_gap": 2.1831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010114,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.696000Z",
"spacegroup": 128
},
{
"id": "mp-1078602",
"created_at": "2022-09-04T14:39:35.887649Z",
"structure_string": "Zr2 In6\n1.0\n-2.189791 2.189791 9.600019\n2.189791 -2.189791 9.600019\n2.189791 2.189791 -9.600019\nZr In\n2 6\ndirect\n0.881149 0.881149 0.000000 Zr\n0.118851 0.118851 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.624782 0.624782 0.000000 In\n0.375218 0.375218 0.000000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.857914636292117,
"density_atomic": 0.04344627732974226,
"volume": 184.1354539833818,
"volume_molar": 13.86112028493035,
"formula_full": "Zr2 In6",
"formula_reduced": "ZrIn3",
"formula_anonymous": "AB3",
"energy": -35.25545697,
"energy_per_atom": -4.40693212125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.25545697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.381000Z",
"spacegroup": 139
},
{
"id": "mp-1097588",
"created_at": "2022-09-04T14:46:06.351641Z",
"structure_string": "Zr2 Ir1 Au1\n1.0\n-5.148146 5.751564 8.057513\n5.148146 -5.751564 8.057513\n5.148146 5.751564 -8.057513\nZr Ir Au\n2 1 1\ndirect\n0.000000 0.226420 0.226420 Zr\n0.000000 0.773580 0.773580 Zr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ir",
"Au"
],
"chemical_system": "Au-Ir-Zr",
"density": 0.9946435824047438,
"density_atomic": 0.004191429575396317,
"volume": 954.3283331014295,
"volume_molar": 143.6774888298244,
"formula_full": "Zr2 Ir1 Au1",
"formula_reduced": "Zr2IrAu",
"formula_anonymous": "ABC2",
"energy": -19.12859816,
"energy_per_atom": -4.78214954,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12859816,
"band_gap": 0.0703,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0544639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.179000Z",
"spacegroup": 71
},
{
"id": "mp-1096630",
"created_at": "2022-09-04T14:45:11.836194Z",
"structure_string": "Zr2 Ir1 Pd1\n1.0\n-4.920524 5.624477 7.929049\n4.920524 -5.624477 7.929049\n4.920524 5.624477 -7.929049\nZr Ir Pd\n2 1 1\ndirect\n0.000000 0.260565 0.260565 Zr\n0.000000 0.739435 0.739435 Zr\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Zr",
"density": 0.9101151018801695,
"density_atomic": 0.0045570668411762435,
"volume": 877.7575882489236,
"volume_molar": 132.1494937398285,
"formula_full": "Zr2 Ir1 Pd1",
"formula_reduced": "Zr2IrPd",
"formula_anonymous": "ABC2",
"energy": -20.60588297,
"energy_per_atom": -5.1514707425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60588297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.333000Z",
"spacegroup": 71
},
{
"id": "mp-1096183",
"created_at": "2022-09-04T14:43:40.710720Z",
"structure_string": "Zr2 Ir1 Rh1\n1.0\n-4.730370 5.464404 7.722857\n4.730370 -5.464404 7.722857\n4.730370 5.464404 -7.722857\nZr Ir Rh\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Zr\n0.000000 0.750371 0.750371 Zr\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Zr",
"density": 0.9931405000789529,
"density_atomic": 0.005009381348302789,
"volume": 798.5017953075635,
"volume_molar": 120.21725521137138,
"formula_full": "Zr2 Ir1 Rh1",
"formula_reduced": "Zr2IrRh",
"formula_anonymous": "ABC2",
"energy": -22.69609942,
"energy_per_atom": -5.674024855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.69609942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1251437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.503000Z",
"spacegroup": 71
},
{
"id": "mp-715",
"created_at": "2022-09-04T14:44:53.039166Z",
"structure_string": "Zr2 Ir4\n1.0\n0.000000 3.718669 3.718669\n3.718669 0.000000 3.718669\n3.718669 3.718669 0.000000\nZr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 15.359650468177957,
"density_atomic": 0.058338960246058856,
"volume": 102.8472220741256,
"volume_molar": 10.322674135089391,
"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
"formula_anonymous": "AB2",
"energy": -56.60807919,
"energy_per_atom": -9.434679865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.60807919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.883000Z",
"spacegroup": 227
},
{
"id": "mp-1216500",
"created_at": "2022-09-04T14:44:11.491287Z",
"structure_string": "Zr2 Mn12 Ga1 Sn11\n1.0\n-2.680279 -4.656039 0.000000\n-5.374460 0.008025 0.000000\n0.000000 0.000000 -17.858234\nZr Mn Ga Sn\n2 12 1 11\ndirect\n0.999829 0.000189 0.250000 Zr\n0.999898 0.000055 0.750000 Zr\n0.503944 0.992074 0.129760 Mn\n0.499882 0.000008 0.625491 Mn\n0.992030 0.503823 0.129756 Mn\n0.000019 0.500071 0.625474 Mn\n0.504010 0.503831 0.129768 Mn\n0.499900 0.500226 0.625489 Mn\n0.503944 0.992074 0.370240 Mn\n0.499882 0.000008 0.874509 Mn\n0.992030 0.503823 0.370244 Mn\n0.000019 0.500071 0.874526 Mn\n0.504010 0.503831 0.370232 Mn\n0.499900 0.500226 0.874511 Mn\n0.666503 0.666392 0.250000 Ga\n0.000089 0.999931 0.086314 Sn\n0.000190 0.999843 0.584783 Sn\n0.000089 0.999931 0.413686 Sn\n0.000190 0.999843 0.915217 Sn\n0.666449 0.666693 0.001455 Sn\n0.666449 0.666693 0.498545 Sn\n0.333475 0.333340 0.002948 Sn\n0.333475 0.333340 0.497052 Sn\n0.666244 0.667059 0.750000 Sn\n0.333419 0.333662 0.250000 Sn\n0.333735 0.332964 0.750000 Sn\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Ga",
"Sn"
],
"chemical_system": "Ga-Mn-Sn-Zr",
"density": 8.23186476692602,
"density_atomic": 0.05813132937402638,
"volume": 447.2631243767331,
"volume_molar": 10.359544199054131,
"formula_full": "Zr2 Mn12 Ga1 Sn11",
"formula_reduced": "Zr2Mn12GaSn11",
"formula_anonymous": "AB2C11D12",
"energy": -177.09480884,
"energy_per_atom": -6.811338801538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.09480884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.709927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.515000Z",
"spacegroup": 187
},
{
"id": "mp-1215517",
"created_at": "2022-09-04T14:42:42.121359Z",
"structure_string": "Zr2 Mn1 Fe3\n1.0\n4.367401 -2.487590 0.000000\n4.367401 2.487590 0.000000\n2.950517 0.000000 4.068998\nZr Mn Fe\n2 1 3\ndirect\n0.124582 0.124582 0.124582 Zr\n0.875418 0.875418 0.875418 Zr\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Zr",
"density": 7.605015488681822,
"density_atomic": 0.06786282067011225,
"volume": 88.4136547929032,
"volume_molar": 8.873991237815195,
"formula_full": "Zr2 Mn1 Fe3",
"formula_reduced": "Zr2MnFe3",
"formula_anonymous": "AB2C3",
"energy": -53.20322306,
"energy_per_atom": -8.867203843333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.20322306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2689892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.779000Z",
"spacegroup": 166
},
{
"id": "mp-1097305",
"created_at": "2022-09-04T14:45:25.394433Z",
"structure_string": "Zr2 Mn1 Os1\n1.0\n-4.834050 5.406869 7.789081\n4.834050 -5.406869 7.789081\n4.834050 5.406869 -7.789081\nZr Mn Os\n2 1 1\ndirect\n0.000000 0.258643 0.258643 Zr\n0.000000 0.741357 0.741357 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Os"
],
"chemical_system": "Mn-Os-Zr",
"density": 0.8719666861443328,
"density_atomic": 0.00491198231236303,
"volume": 814.3351798992333,
"volume_molar": 122.60102697932763,
"formula_full": "Zr2 Mn1 Os1",
"formula_reduced": "Zr2MnOs",
"formula_anonymous": "ABC2",
"energy": -23.72413903,
"energy_per_atom": -5.9310347575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.72413903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0010434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.555000Z",
"spacegroup": 71
},
{
"id": "mp-1097316",
"created_at": "2022-09-04T14:46:53.487070Z",
"structure_string": "Zr2 Mn1 Tc1\n1.0\n-4.672885 5.830367 8.373438\n4.672885 -5.830367 8.373438\n4.672885 5.830367 -8.373438\nZr Mn Tc\n2 1 1\ndirect\n0.000000 0.262009 0.262009 Zr\n0.000000 0.737991 0.737991 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Zr",
"density": 0.6103083324325712,
"density_atomic": 0.004383441399513142,
"volume": 912.5250312332839,
"volume_molar": 137.38385462775582,
"formula_full": "Zr2 Mn1 Tc1",
"formula_reduced": "Zr2MnTc",
"formula_anonymous": "ABC2",
"energy": -23.04586184,
"energy_per_atom": -5.76146546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.04586184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8404461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.132000Z",
"spacegroup": 71
}
]
}