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=12182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12180",
"results": [
{
"id": "mp-1205899",
"created_at": "2022-09-04T14:39:18.812202Z",
"structure_string": "Zr6 Ni1 Bi2\n1.0\n0.000000 0.000000 -3.716883\n-3.967614 -6.872109 0.000000\n-3.967614 6.872109 0.000000\nZr Ni Bi\n6 1 2\ndirect\n0.500000 0.763357 0.763357 Zr\n0.500000 0.000000 0.236643 Zr\n0.500000 0.236643 0.000000 Zr\n0.000000 0.394504 0.394504 Zr\n0.000000 0.000000 0.605496 Zr\n0.000000 0.605496 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.500000 0.666667 0.333333 Bi\n0.500000 0.333333 0.666667 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Zr",
"density": 8.389188466195241,
"density_atomic": 0.044403189811026686,
"volume": 202.68814106154647,
"volume_molar": 13.562405731726317,
"formula_full": "Zr6 Ni1 Bi2",
"formula_reduced": "Zr6NiBi2",
"formula_anonymous": "AB2C6",
"energy": -68.16471791,
"energy_per_atom": -7.573857545555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.16471791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.071000Z",
"spacegroup": 189
},
{
"id": "mp-653981",
"created_at": "2022-09-04T14:48:10.933224Z",
"structure_string": "Zr6 Ni1 Cl15\n1.0\n-5.170378 5.170378 5.170378\n5.170378 -5.170378 5.170378\n5.170378 5.170378 -5.170378\nZr Ni Cl\n6 1 15\ndirect\n0.757479 0.000000 0.757479 Zr\n0.000000 0.757479 0.757479 Zr\n0.242521 0.000000 0.242521 Zr\n0.000000 0.242521 0.242521 Zr\n0.242521 0.242521 0.000000 Zr\n0.757479 0.757479 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.503949 0.751974 0.751974 Cl\n0.248026 0.496051 0.248026 Cl\n0.000000 0.751974 0.248026 Cl\n0.248026 0.000000 0.751974 Cl\n0.751974 0.000000 0.248026 Cl\n0.751974 0.503949 0.751974 Cl\n0.248026 0.751974 0.000000 Cl\n0.751974 0.248026 0.000000 Cl\n0.000000 0.248026 0.751974 Cl\n0.500000 0.500000 0.000000 Cl\n0.751974 0.751974 0.503949 Cl\n0.500000 0.000000 0.500000 Cl\n0.248026 0.248026 0.496051 Cl\n0.496051 0.248026 0.248026 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni-Zr",
"density": 3.4174370018619897,
"density_atomic": 0.03979200335274883,
"volume": 552.8749031551396,
"volume_molar": 15.134047679416447,
"formula_full": "Zr6 Ni1 Cl15",
"formula_reduced": "Zr6NiCl15",
"formula_anonymous": "AB6C15",
"energy": -130.08715301,
"energy_per_atom": -5.913052409545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.87715301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9690586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.432000Z",
"spacegroup": 229
},
{
"id": "mp-1206964",
"created_at": "2022-09-04T14:48:15.646742Z",
"structure_string": "Zr6 Ni1 Sb2\n1.0\n3.907198 -6.767465 0.000000\n3.907198 6.767465 0.000000\n0.000000 0.000000 3.685617\nZr Ni Sb\n6 1 2\ndirect\n0.241550 0.000000 0.500000 Zr\n0.000000 0.241550 0.500000 Zr\n0.758450 0.758450 0.500000 Zr\n0.596774 0.000000 0.000000 Zr\n0.000000 0.596774 0.000000 Zr\n0.403226 0.403226 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Zr",
"density": 7.237860162497711,
"density_atomic": 0.046175421982479946,
"volume": 194.90888471825582,
"volume_molar": 13.04187487942166,
"formula_full": "Zr6 Ni1 Sb2",
"formula_reduced": "Zr6NiSb2",
"formula_anonymous": "AB2C6",
"energy": -70.94631165,
"energy_per_atom": -7.882923516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.56231165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0118914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.393000Z",
"spacegroup": 189
},
{
"id": "mp-1206510",
"created_at": "2022-09-04T14:45:32.486732Z",
"structure_string": "Zr6 Ni1 Sn2\n1.0\n3.994761 -6.919129 0.000000\n3.994761 6.919129 0.000000\n0.000000 0.000000 3.562796\nZr Ni Sn\n6 1 2\ndirect\n0.244938 0.000000 0.500000 Zr\n0.000000 0.244938 0.500000 Zr\n0.755062 0.755062 0.500000 Zr\n0.602339 0.000000 0.000000 Zr\n0.000000 0.602339 0.000000 Zr\n0.397661 0.397661 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Zr",
"density": 7.111301134459355,
"density_atomic": 0.04569612026634098,
"volume": 196.95326315545555,
"volume_molar": 13.178669709594168,
"formula_full": "Zr6 Ni1 Sn2",
"formula_reduced": "Zr6NiSn2",
"formula_anonymous": "AB2C6",
"energy": -69.04643417,
"energy_per_atom": -7.671826018888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.04643417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.286000Z",
"spacegroup": 189
},
{
"id": "mp-1205792",
"created_at": "2022-09-04T14:45:55.337802Z",
"structure_string": "Zr6 Ni1 Te2\n1.0\n0.000000 0.000000 -3.716123\n-3.861909 -6.689022 0.000000\n-3.861909 6.689022 0.000000\nZr Ni Te\n6 1 2\ndirect\n0.500000 0.760190 0.760190 Zr\n0.500000 0.000000 0.239810 Zr\n0.500000 0.239810 0.000000 Zr\n0.000000 0.405756 0.405756 Zr\n0.000000 0.000000 0.594244 Zr\n0.000000 0.594244 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.500000 0.666667 0.333333 Te\n0.500000 0.333333 0.666667 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Te"
],
"chemical_system": "Ni-Te-Zr",
"density": 7.448815927830809,
"density_atomic": 0.04687678011359717,
"volume": 191.99270893158982,
"volume_molar": 12.846745756441589,
"formula_full": "Zr6 Ni1 Te2",
"formula_reduced": "Zr6NiTe2",
"formula_anonymous": "AB2C6",
"energy": -69.44776895999999,
"energy_per_atom": -7.7164187733333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.60376896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.565000Z",
"spacegroup": 189
},
{
"id": "mp-1188073",
"created_at": "2022-09-04T14:42:57.027517Z",
"structure_string": "Zr6 Ni2\n1.0\n3.032209 -5.251941 0.000000\n3.032209 5.251941 0.000000\n0.000000 0.000000 4.896295\nZr Ni\n6 2\ndirect\n0.825653 0.651305 0.750000 Zr\n0.174347 0.825653 0.250000 Zr\n0.651305 0.825653 0.250000 Zr\n0.174347 0.348695 0.250000 Zr\n0.825653 0.174347 0.750000 Zr\n0.348695 0.174347 0.750000 Zr\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 7.07812709883652,
"density_atomic": 0.051299536860448657,
"volume": 155.94682700084778,
"volume_molar": 11.739171790930925,
"formula_full": "Zr6 Ni2",
"formula_reduced": "Zr3Ni",
"formula_anonymous": "AB3",
"energy": -62.64172784,
"energy_per_atom": -7.83021598,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.64172784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.573000Z",
"spacegroup": 194
},
{
"id": "mp-14298",
"created_at": "2022-09-04T14:41:15.862079Z",
"structure_string": "Zr6 Ni20 P13\n1.0\n6.243599 -10.814231 0.000000\n6.243599 10.814231 0.000000\n0.000000 0.000000 3.636641\nZr Ni P\n6 20 13\ndirect\n0.808729 0.282624 0.500000 Zr\n0.717376 0.526105 0.500000 Zr\n0.473895 0.191271 0.500000 Zr\n0.191389 0.718196 0.000000 Zr\n0.281804 0.473193 0.000000 Zr\n0.526807 0.808611 0.000000 Zr\n0.418086 0.979418 0.000000 Ni\n0.020582 0.438668 0.000000 Ni\n0.584950 0.020908 0.500000 Ni\n0.561332 0.581914 0.000000 Ni\n0.979092 0.564042 0.500000 Ni\n0.921334 0.081790 0.500000 Ni\n0.160456 0.078666 0.500000 Ni\n0.918210 0.839544 0.500000 Ni\n0.094061 0.895385 0.000000 Ni\n0.801324 0.905939 0.000000 Ni\n0.104615 0.198676 0.000000 Ni\n0.333333 0.666667 0.500000 Ni\n0.666667 0.333333 0.000000 Ni\n0.676617 0.748242 0.500000 Ni\n0.251758 0.928375 0.500000 Ni\n0.920886 0.675787 0.000000 Ni\n0.324213 0.245099 0.000000 Ni\n0.754901 0.079114 0.000000 Ni\n0.435958 0.415050 0.500000 Ni\n0.071625 0.323383 0.500000 Ni\n0.000000 0.000000 0.000000 P\n0.232429 0.285191 0.500000 P\n0.714809 0.947237 0.500000 P\n0.052763 0.767571 0.500000 P\n0.766326 0.713223 0.000000 P\n0.286777 0.053103 0.000000 P\n0.472870 0.613350 0.500000 P\n0.386650 0.859520 0.500000 P\n0.860022 0.473644 0.000000 P\n0.526356 0.386378 0.000000 P\n0.613622 0.139978 0.000000 P\n0.946897 0.233674 0.000000 P\n0.140480 0.527130 0.500000 P\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 7.181516162978589,
"density_atomic": 0.07941518209798828,
"volume": 491.08997763020847,
"volume_molar": 7.58311018234453,
"formula_full": "Zr6 Ni20 P13",
"formula_reduced": "Zr6Ni20P13",
"formula_anonymous": "A6B13C20",
"energy": -271.56580588,
"energy_per_atom": -6.963225791794873,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.56580588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0759284,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.539000Z",
"spacegroup": 174
},
{
"id": "mp-1194271",
"created_at": "2022-09-04T14:40:27.776819Z",
"structure_string": "Zr6 Ni23\n1.0\n0.000000 5.713521 5.713521\n5.713521 0.000000 5.713521\n5.713521 5.713521 0.000000\nZr Ni\n6 23\ndirect\n0.712867 0.712867 0.287133 Zr\n0.287133 0.712867 0.287133 Zr\n0.712867 0.287133 0.287133 Zr\n0.287133 0.287133 0.712867 Zr\n0.712867 0.287133 0.712867 Zr\n0.287133 0.712867 0.712867 Zr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.880042 0.880042 0.359873 Ni\n0.880042 0.359873 0.880042 Ni\n0.359873 0.880042 0.880042 Ni\n0.880042 0.880042 0.880042 Ni\n0.119958 0.119958 0.640127 Ni\n0.119958 0.640127 0.119958 Ni\n0.640127 0.119958 0.119958 Ni\n0.119958 0.119958 0.119958 Ni\n0.671356 0.671356 0.985931 Ni\n0.671356 0.985931 0.671356 Ni\n0.985931 0.671356 0.671356 Ni\n0.671356 0.671356 0.671356 Ni\n0.328644 0.328644 0.014069 Ni\n0.328644 0.014069 0.328644 Ni\n0.014069 0.328644 0.328644 Ni\n0.328644 0.328644 0.328644 Ni\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.445820346561218,
"density_atomic": 0.07774214485090765,
"volume": 373.02804104023147,
"volume_molar": 7.746301277832175,
"formula_full": "Zr6 Ni23",
"formula_reduced": "Zr6Ni23",
"formula_anonymous": "A6B23",
"energy": -194.53253066,
"energy_per_atom": -6.708018298620689,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.53253066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.594000Z",
"spacegroup": 225
},
{
"id": "mp-1215349",
"created_at": "2022-09-04T14:42:50.387893Z",
"structure_string": "Zr6 Ni2 O1\n1.0\n1.654817 5.424986 0.000000\n-1.654817 5.424986 0.000000\n0.000000 0.196591 9.008132\nZr Ni O\n6 2 1\ndirect\n0.634704 0.634704 0.943323 Zr\n0.365296 0.365296 0.056677 Zr\n0.633550 0.633550 0.558679 Zr\n0.366450 0.366450 0.441321 Zr\n0.071965 0.071965 0.253097 Zr\n0.928035 0.928035 0.746903 Zr\n0.762656 0.762656 0.251020 Ni\n0.237344 0.237344 0.748980 Ni\n0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zr",
"density": 6.988931484862763,
"density_atomic": 0.055645388232438885,
"volume": 161.73847080382816,
"volume_molar": 10.822353749864483,
"formula_full": "Zr6 Ni2 O1",
"formula_reduced": "Zr6Ni2O",
"formula_anonymous": "AB2C6",
"energy": -71.36668664000001,
"energy_per_atom": -7.92963184888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.59768664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.011000Z",
"spacegroup": 12
},
{
"id": "mp-18927",
"created_at": "2022-09-04T14:44:27.596127Z",
"structure_string": "Zr6 Ni2 O2\n1.0\n3.346903 0.000000 0.000000\n-1.673451 5.468393 0.000000\n0.000000 0.000000 8.838629\nZr Ni O\n6 2 2\ndirect\n0.065504 0.131008 0.250000 Zr\n0.934497 0.868991 0.750000 Zr\n0.365006 0.730012 0.059633 Zr\n0.634995 0.269987 0.940368 Zr\n0.634995 0.269987 0.559633 Zr\n0.365006 0.730012 0.440367 Zr\n0.755605 0.511207 0.250000 Ni\n0.244396 0.488792 0.750000 Ni\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zr",
"density": 7.151968775055569,
"density_atomic": 0.06181761574274086,
"volume": 161.7661871919459,
"volume_molar": 9.741787494784075,
"formula_full": "Zr6 Ni2 O2",
"formula_reduced": "Zr3NiO",
"formula_anonymous": "ABC3",
"energy": -82.51915777,
"energy_per_atom": -8.251915777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.06315777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.996000Z",
"spacegroup": 63
},
{
"id": "mp-17926",
"created_at": "2022-09-04T14:46:29.098275Z",
"structure_string": "Zr6 Ni6 Sb8\n1.0\n-4.568974 4.568974 4.568974\n4.568974 -4.568974 4.568974\n4.568974 4.568974 -4.568974\nZr Ni Sb\n6 6 8\ndirect\n0.625000 0.375000 0.250000 Zr\n0.375000 0.250000 0.625000 Zr\n0.125000 0.750000 0.875000 Zr\n0.750000 0.875000 0.125000 Zr\n0.250000 0.625000 0.375000 Zr\n0.875000 0.125000 0.750000 Zr\n0.875000 0.250000 0.125000 Ni\n0.375000 0.625000 0.750000 Ni\n0.625000 0.750000 0.375000 Ni\n0.750000 0.375000 0.625000 Ni\n0.250000 0.125000 0.875000 Ni\n0.125000 0.875000 0.250000 Ni\n0.500000 0.000000 0.834643 Sb\n0.165357 0.165357 0.165357 Sb\n0.834643 0.500000 0.000000 Sb\n0.000000 0.834643 0.500000 Sb\n0.334643 0.500000 0.000000 Sb\n0.000000 0.334643 0.500000 Sb\n0.500000 0.000000 0.334643 Sb\n0.665357 0.665357 0.665357 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Zr",
"density": 8.154668439456165,
"density_atomic": 0.052422043234887555,
"volume": 381.5188948356316,
"volume_molar": 11.487802436499052,
"formula_full": "Zr6 Ni6 Sb8",
"formula_reduced": "Zr3Ni3Sb4",
"formula_anonymous": "A3B3C4",
"energy": -133.55056934,
"energy_per_atom": -6.677528467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.01456934,
"band_gap": 0.4341999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002214,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.068000Z",
"spacegroup": 220
},
{
"id": "mp-761151",
"created_at": "2022-09-04T14:45:35.785598Z",
"structure_string": "Zr6 O11\n1.0\n3.633882 0.000000 0.000000\n0.000000 3.637053 0.000000\n0.000000 0.000000 15.778373\nZr O\n6 11\ndirect\n0.000000 0.500000 0.075661 Zr\n0.000000 0.500000 0.410896 Zr\n0.000000 0.500000 0.745455 Zr\n0.500000 0.000000 0.243143 Zr\n0.500000 0.000000 0.578671 Zr\n0.500000 0.000000 0.910969 Zr\n0.000000 0.000000 0.137975 O\n0.000000 0.000000 0.644686 O\n0.000000 0.000000 0.476958 O\n0.000000 0.000000 0.812491 O\n0.000000 0.000000 0.308331 O\n0.500000 0.500000 0.678211 O\n0.500000 0.500000 0.008927 O\n0.500000 0.500000 0.177412 O\n0.500000 0.500000 0.344586 O\n0.500000 0.500000 0.511307 O\n0.500000 0.500000 0.844510 O\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.759799280375676,
"density_atomic": 0.081520390687921,
"volume": 208.53678271832567,
"volume_molar": 7.387281524513487,
"formula_full": "Zr6 O11",
"formula_reduced": "Zr6O11",
"formula_anonymous": "A6B11",
"energy": -167.30550788,
"energy_per_atom": -9.841500463529412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.74850788,
"band_gap": 0.3600000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.658000Z",
"spacegroup": 25
}
]
}