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_anonymous&page=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12188",
"results": [
{
"id": "mp-1147718",
"created_at": "2022-09-04T14:46:27.669881Z",
"structure_string": "C120\n1.0\n9.186669 0.000000 0.000000\n0.000000 10.201967 0.000000\n0.000000 0.000000 14.648839\nC\n120\ndirect\n0.421129 0.162185 0.467487 C\n0.421129 0.837815 0.532513 C\n0.587740 0.939901 0.964512 C\n0.587740 0.060099 0.035488 C\n0.912260 0.439901 0.535488 C\n0.912260 0.560099 0.464512 C\n0.412260 0.060099 0.035488 C\n0.412260 0.939901 0.964512 C\n0.087740 0.560099 0.464512 C\n0.087740 0.439901 0.535488 C\n0.667710 0.966229 0.874788 C\n0.667710 0.033771 0.125212 C\n0.832290 0.466229 0.625212 C\n0.832290 0.533771 0.374788 C\n0.332290 0.033771 0.125212 C\n0.332290 0.966229 0.874788 C\n0.167710 0.533771 0.374788 C\n0.167710 0.466229 0.625212 C\n0.667469 0.816751 0.997059 C\n0.667469 0.183249 0.002941 C\n0.832531 0.316751 0.502941 C\n0.832531 0.683249 0.497059 C\n0.332531 0.183249 0.002941 C\n0.332531 0.816751 0.997059 C\n0.167469 0.683249 0.497059 C\n0.167469 0.316751 0.502941 C\n0.923763 0.218318 0.821094 C\n0.923763 0.781682 0.178906 C\n0.576237 0.718318 0.678906 C\n0.576237 0.281682 0.321094 C\n0.076237 0.781682 0.178906 C\n0.076237 0.218318 0.821094 C\n0.423763 0.281682 0.321094 C\n0.423763 0.718318 0.678906 C\n0.000000 0.783383 0.809367 C\n0.000000 0.216617 0.190633 C\n0.500000 0.283383 0.690633 C\n0.500000 0.716617 0.309367 C\n0.000000 0.694229 0.881886 C\n0.000000 0.305771 0.118114 C\n0.500000 0.194229 0.618114 C\n0.500000 0.805771 0.381886 C\n0.872854 0.863495 0.791602 C\n0.872854 0.136505 0.208398 C\n0.627146 0.363495 0.708398 C\n0.627146 0.636505 0.291602 C\n0.127146 0.136505 0.208398 C\n0.127146 0.863495 0.791602 C\n0.372854 0.636505 0.291602 C\n0.372854 0.363495 0.708398 C\n0.872610 0.681907 0.939715 C\n0.872610 0.318093 0.060285 C\n0.627390 0.181907 0.560285 C\n0.627390 0.818093 0.439715 C\n0.127390 0.318093 0.060285 C\n0.127390 0.681907 0.939715 C\n0.372610 0.818093 0.439715 C\n0.372610 0.181907 0.560285 C\n0.844840 0.102443 0.792038 C\n0.844840 0.897557 0.207962 C\n0.655160 0.602443 0.707962 C\n0.655160 0.397557 0.292038 C\n0.155160 0.897557 0.207962 C\n0.155160 0.102443 0.792038 C\n0.344840 0.397557 0.292038 C\n0.344840 0.602443 0.707962 C\n0.844813 0.721736 0.104063 C\n0.844813 0.278264 0.895937 C\n0.655187 0.221736 0.395937 C\n0.655187 0.778264 0.604063 C\n0.155187 0.278264 0.895937 C\n0.155187 0.721736 0.104063 C\n0.344813 0.778264 0.604063 C\n0.344813 0.221736 0.395937 C\n0.716829 0.089309 0.848868 C\n0.716829 0.910691 0.151132 C\n0.783171 0.589309 0.651132 C\n0.783171 0.410691 0.348868 C\n0.283171 0.910691 0.151132 C\n0.283171 0.089309 0.848868 C\n0.216829 0.410691 0.348868 C\n0.216829 0.589309 0.651132 C\n0.716703 0.800048 0.085850 C\n0.716703 0.199952 0.914150 C\n0.783297 0.300048 0.414150 C\n0.783297 0.699952 0.585850 C\n0.283297 0.199952 0.914150 C\n0.283297 0.800048 0.085850 C\n0.216703 0.699952 0.585850 C\n0.216703 0.300048 0.414150 C\n0.750167 0.853001 0.848119 C\n0.750167 0.146999 0.151881 C\n0.749833 0.353001 0.651881 C\n0.749833 0.646999 0.348119 C\n0.249833 0.146999 0.151881 C\n0.249833 0.853001 0.848119 C\n0.250167 0.646999 0.348119 C\n0.250167 0.353001 0.651881 C\n0.749888 0.760422 0.923474 C\n0.749888 0.239578 0.076526 C\n0.750112 0.260422 0.576526 C\n0.750112 0.739578 0.423474 C\n0.250112 0.239578 0.076526 C\n0.250112 0.760422 0.923474 C\n0.249888 0.739578 0.423474 C\n0.249888 0.260422 0.576526 C\n0.921080 0.991483 0.762534 C\n0.921080 0.008517 0.237466 C\n0.578920 0.491483 0.737466 C\n0.578920 0.508517 0.262534 C\n0.078920 0.008517 0.237466 C\n0.078920 0.991483 0.762534 C\n0.421080 0.508517 0.262534 C\n0.421080 0.491483 0.737466 C\n0.921129 0.662185 0.032513 C\n0.921129 0.337815 0.967487 C\n0.578871 0.162185 0.467487 C\n0.578871 0.837815 0.532513 C\n0.078871 0.337815 0.967487 C\n0.078871 0.662185 0.032513 C\n",
"nsites": 120,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.74322511337822,
"density_atomic": 0.0874049556874992,
"volume": 1372.9198654254635,
"volume_molar": 6.889930568160333,
"formula_full": "C120",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1060.79670803,
"energy_per_atom": -8.839972566916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1060.79670803,
"band_gap": 0.9669,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.379000Z",
"spacegroup": 58
},
{
"id": "mp-1202723",
"created_at": "2022-09-04T14:46:27.254364Z",
"structure_string": "B12\n1.0\n0.000000 3.704281 3.704281\n3.704281 0.000000 3.704281\n3.704281 3.704281 0.000000\nB\n12\ndirect\n0.500000 0.500000 0.838175 B\n0.838175 0.161825 0.500000 B\n0.500000 0.500000 0.161825 B\n0.161825 0.838175 0.500000 B\n0.838175 0.500000 0.500000 B\n0.500000 0.838175 0.161825 B\n0.161825 0.500000 0.500000 B\n0.500000 0.161825 0.838175 B\n0.500000 0.838175 0.500000 B\n0.161825 0.500000 0.838175 B\n0.500000 0.161825 0.500000 B\n0.838175 0.500000 0.161825 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.1191145971533185,
"density_atomic": 0.11804279340521799,
"volume": 101.65804835544962,
"volume_molar": 5.101658971528368,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -76.29553201,
"energy_per_atom": -6.357961000833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.29553201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.762000Z",
"spacegroup": 225
},
{
"id": "mp-568345",
"created_at": "2022-09-04T14:46:35.558540Z",
"structure_string": "Fe1\n1.0\n2.375663 0.000000 0.000000\n0.000000 2.375663 0.000000\n0.000000 0.000000 2.375663\nFe\n1\ndirect\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 6.916380718764021,
"density_atomic": 0.0745839703689511,
"volume": 13.407706710345558,
"volume_molar": 8.07430970784975,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.70860905,
"energy_per_atom": -7.70860905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70860905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4121917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.812000Z",
"spacegroup": 221
},
{
"id": "mp-19858",
"created_at": "2022-09-04T14:46:35.674047Z",
"structure_string": "Sr1\n1.0\n2.035118 -3.524927 0.000000\n2.035118 3.524927 0.000000\n0.000000 0.000000 3.773756\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.687254577070871,
"density_atomic": 0.01846955641025743,
"volume": 54.14315199495698,
"volume_molar": 32.60576825037057,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.45310347,
"energy_per_atom": -1.45310347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.45310347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.240000Z",
"spacegroup": 191
},
{
"id": "mp-1094073",
"created_at": "2022-09-04T14:46:59.645000Z",
"structure_string": "S4\n1.0\n4.241282 0.000000 0.000000\n0.000000 4.008472 0.000000\n0.000000 0.090296 6.129514\nS\n4\ndirect\n0.669086 0.283853 0.758376 S\n0.830914 0.783853 0.758376 S\n0.169086 0.216147 0.241624 S\n0.330914 0.716147 0.241624 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.043799497537599,
"density_atomic": 0.03838468193869357,
"volume": 104.20823614973897,
"volume_molar": 15.688916661126214,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -14.2623216,
"energy_per_atom": -3.5655804,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.2623216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.946000Z",
"spacegroup": 14
},
{
"id": "mp-1059289",
"created_at": "2022-09-04T14:46:27.564633Z",
"structure_string": "Cr2\n1.0\n0.000000 -2.274707 0.000000\n-2.449084 1.137354 0.000000\n0.000000 0.000000 -4.236838\nCr\n2\ndirect\n0.860699 0.721397 0.750000 Cr\n0.139301 0.278603 0.250000 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.316086973554048,
"density_atomic": 0.08473425041949406,
"volume": 23.603206378749974,
"volume_molar": 7.107091560008111,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -18.6342467,
"energy_per_atom": -9.31712335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6342467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.289000Z",
"spacegroup": 63
},
{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0285200176169875,
"density_atomic": 0.026941950775017327,
"volume": 74.23367434308267,
"volume_molar": 22.35228180130222,
"formula_full": "Na2",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -2.62444601,
"energy_per_atom": -1.312223005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.62444601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.131000Z",
"spacegroup": 194
},
{
"id": "mp-568145",
"created_at": "2022-09-04T14:45:39.734844Z",
"structure_string": "Ar2\n1.0\n1.993797 -3.453358 0.000000\n1.993797 3.453358 0.000000\n0.000000 0.000000 6.538394\nAr\n2\ndirect\n0.333333 0.666667 0.250000 Ar\n0.666667 0.333333 0.750000 Ar\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ar"
],
"chemical_system": "Ar",
"density": 1.4735012557963914,
"density_atomic": 0.022212956782590297,
"volume": 90.0375406829012,
"volume_molar": 27.110937183832878,
"formula_full": "Ar2",
"formula_reduced": "Ar",
"formula_anonymous": "A",
"energy": -0.13675436,
"energy_per_atom": -0.06837718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13675436,
"band_gap": 8.679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.529000Z",
"spacegroup": 194
},
{
"id": "mp-561513",
"created_at": "2022-09-04T14:45:38.944673Z",
"structure_string": "S28\n1.0\n6.059369 0.000000 0.000000\n-1.933828 10.161465 0.000000\n-2.150029 -1.826229 15.286325\nS\n28\ndirect\n0.087959 0.436421 0.723528 S\n0.583033 0.049485 0.675418 S\n0.305638 0.627335 0.916851 S\n0.714907 0.323203 0.468844 S\n0.016424 0.700731 0.931239 S\n0.202355 0.435958 0.854907 S\n0.912041 0.563579 0.276472 S\n0.983576 0.299269 0.068761 S\n0.124072 0.806842 0.595693 S\n0.882341 0.988043 0.111953 S\n0.875928 0.193158 0.404307 S\n0.477056 0.835953 0.218109 S\n0.694362 0.372665 0.083149 S\n0.974455 0.820678 0.833245 S\n0.659370 0.573794 0.352036 S\n0.522944 0.164047 0.781891 S\n0.025545 0.179322 0.166755 S\n0.285093 0.676797 0.531156 S\n0.536483 0.947311 0.116938 S\n0.497601 0.613436 0.627119 S\n0.710272 0.004423 0.416253 S\n0.117659 0.011957 0.888047 S\n0.289728 0.995577 0.583747 S\n0.340630 0.426206 0.647964 S\n0.416967 0.950515 0.324582 S\n0.797645 0.564042 0.145093 S\n0.463517 0.052689 0.883062 S\n0.502399 0.386564 0.372881 S\n",
"nsites": 28,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.5839867992460366,
"density_atomic": 0.029748920849330944,
"volume": 941.2106120356874,
"volume_molar": 20.24322425173093,
"formula_full": "S28",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -115.29016021,
"energy_per_atom": -4.117505721785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.29016021,
"band_gap": 2.4271,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.573000Z",
"spacegroup": 2
},
{
"id": "mp-611517",
"created_at": "2022-09-04T14:45:53.284052Z",
"structure_string": "Xe1\n1.0\n0.000000 3.330738 3.330738\n3.330738 0.000000 3.330738\n3.330738 3.330738 0.000000\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.950117121282437,
"density_atomic": 0.013531582467449434,
"volume": 73.90118653199103,
"volume_molar": 44.504334762666616,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03039347,
"energy_per_atom": -0.03039347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03039347,
"band_gap": 6.2094,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.257000Z",
"spacegroup": 225
},
{
"id": "mp-1184478",
"created_at": "2022-09-04T14:45:36.684642Z",
"structure_string": "In1\n1.0\n-1.915047 1.915047 1.915047\n1.915047 -1.915047 1.915047\n1.915047 1.915047 -1.915047\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.786733137072897,
"density_atomic": 0.03559604092227124,
"volume": 28.093011865663232,
"volume_molar": 16.918007182737423,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71684631,
"energy_per_atom": -2.71684631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71684631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.153000Z",
"spacegroup": 229
},
{
"id": "mp-64",
"created_at": "2022-09-04T14:45:43.133558Z",
"structure_string": "Ce2\n1.0\n1.593703 -3.086210 0.000000\n1.593703 3.086210 0.000000\n0.000000 0.000000 5.281438\nCe\n2\ndirect\n0.899037 0.100963 0.750000 Ce\n0.100963 0.899037 0.250000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.95677733837446,
"density_atomic": 0.03849594186695973,
"volume": 51.95352816439487,
"volume_molar": 15.643572979230518,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.78685384,
"energy_per_atom": -5.89342692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.78685384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.128000Z",
"spacegroup": 63
}
]
}