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=nelements&page=15",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=13",
"results": [
{
"id": "mp-12093",
"created_at": "2022-09-04T14:46:18.225381Z",
"structure_string": "Ge1\n1.0\n0.000000 2.141902 2.141902\n2.141902 0.000000 2.141902\n2.141902 2.141902 0.000000\nGe\n1\ndirect\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.137565617256281,
"density_atomic": 0.05088282500499262,
"volume": 19.652996858996726,
"volume_molar": 11.835311344071616,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -4.28899835,
"energy_per_atom": -4.28899835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.28899835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087759,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.602000Z",
"spacegroup": 225
},
{
"id": "mp-561367",
"created_at": "2022-09-04T14:46:23.697263Z",
"structure_string": "F4\n1.0\n1.640308 2.751279 0.000000\n-1.640308 2.751279 0.000000\n0.000000 1.535578 7.090378\nF\n4\ndirect\n0.494965 0.494965 0.599142 F\n0.050246 0.050246 0.900882 F\n0.505035 0.505035 0.400858 F\n0.949754 0.949754 0.099118 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 1.971817735041903,
"density_atomic": 0.06250295792011784,
"volume": 63.99697123314094,
"volume_molar": 9.634969224491138,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -7.60855576,
"energy_per_atom": -1.90213894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.60855576,
"band_gap": 2.4556,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.299000Z",
"spacegroup": 12
},
{
"id": "mp-27",
"created_at": "2022-09-04T14:44:12.933126Z",
"structure_string": "Si1\n1.0\n0.000000 1.934742 1.934742\n1.934742 0.000000 1.934742\n1.934742 1.934742 0.000000\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2198236280393964,
"density_atomic": 0.06904000682604183,
"volume": 14.484355462473692,
"volume_molar": 8.722682741289146,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89375202,
"energy_per_atom": -4.89375202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89375202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.560000Z",
"spacegroup": 225
},
{
"id": "mp-973364",
"created_at": "2022-09-04T14:46:27.800739Z",
"structure_string": "Mg4\n1.0\n1.601858 -2.774500 0.000000\n1.601858 2.774500 0.000000\n0.000000 0.000000 10.321287\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7596736078110835,
"density_atomic": 0.04360009118106348,
"volume": 91.74292740326406,
"volume_molar": 13.812220563922939,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -6.34780932,
"energy_per_atom": -1.58695233,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.34780932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.165000Z",
"spacegroup": 194
},
{
"id": "mp-1022725",
"created_at": "2022-09-04T14:46:40.067157Z",
"structure_string": "Sn1\n1.0\n0.000000 2.406666 2.406666\n2.406666 0.000000 2.406666\n2.406666 2.406666 0.000000\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.070643473374787,
"density_atomic": 0.035869269880509785,
"volume": 27.87901742442123,
"volume_molar": 16.78913671803573,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.95531502,
"energy_per_atom": -3.95531502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.95531502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.618000Z",
"spacegroup": 225
},
{
"id": "mp-557869",
"created_at": "2022-09-04T14:46:42.607016Z",
"structure_string": "S48\n1.0\n11.599142 0.000000 0.000000\n0.000000 11.858253 0.000000\n0.000000 1.724424 11.735367\nS\n48\ndirect\n0.319742 0.212544 0.730353 S\n0.017637 0.950298 0.961469 S\n0.819742 0.787456 0.269647 S\n0.076159 0.659723 0.245731 S\n0.154623 0.453340 0.950970 S\n0.851140 0.723281 0.746024 S\n0.593105 0.846393 0.775079 S\n0.180247 0.764479 0.134887 S\n0.980835 0.757914 0.341583 S\n0.441604 0.833155 0.336174 S\n0.068583 0.299605 0.960866 S\n0.689669 0.753482 0.675058 S\n0.517637 0.049702 0.038531 S\n0.490000 0.736580 0.882034 S\n0.093105 0.153607 0.224921 S\n0.319300 0.054703 0.830366 S\n0.845859 0.924655 0.001855 S\n0.941604 0.166845 0.663826 S\n0.235725 0.928428 0.499117 S\n0.381466 0.562254 0.449756 S\n0.576159 0.340277 0.754269 S\n0.173955 0.657244 0.610796 S\n0.735725 0.071572 0.500883 S\n0.353190 0.437529 0.159765 S\n0.407507 0.940845 0.453884 S\n0.351140 0.276719 0.253976 S\n0.601494 0.204939 0.022492 S\n0.819300 0.945297 0.169634 S\n0.568583 0.700395 0.039134 S\n0.907507 0.059155 0.546116 S\n0.510088 0.682796 0.418659 S\n0.320724 0.558478 0.613753 S\n0.326158 0.424117 0.990306 S\n0.189669 0.246518 0.324942 S\n0.826158 0.575883 0.009694 S\n0.480835 0.242086 0.658417 S\n0.673955 0.342756 0.389204 S\n0.990000 0.263420 0.117966 S\n0.217500 0.816326 0.648350 S\n0.680247 0.235521 0.865113 S\n0.345859 0.075345 0.998145 S\n0.853190 0.562471 0.840235 S\n0.654623 0.546660 0.049030 S\n0.010088 0.317204 0.581341 S\n0.881466 0.437746 0.550244 S\n0.717500 0.183674 0.351650 S\n0.820724 0.441522 0.386247 S\n0.101494 0.795061 0.977508 S\n",
"nsites": 48,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.5833551030390092,
"density_atomic": 0.029737056937035322,
"volume": 1614.1476307367702,
"volume_molar": 20.25130049941111,
"formula_full": "S48",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -198.50822487,
"energy_per_atom": -4.1355880181249995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.50822487,
"band_gap": 2.5243,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.885000Z",
"spacegroup": 4
},
{
"id": "mp-607540",
"created_at": "2022-09-04T14:46:58.045403Z",
"structure_string": "O2\n1.0\n0.000000 1.889885 3.898837\n1.501773 0.000000 3.898837\n1.501773 1.889885 0.000000\nO\n2\ndirect\n0.421098 0.421098 0.578902 O\n0.578902 0.578902 0.421098 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4009219653451197,
"density_atomic": 0.09037020159556464,
"volume": 22.13118887297204,
"volume_molar": 6.6638567289591695,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.64872816,
"energy_per_atom": -4.82436408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.64872816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.451000Z",
"spacegroup": 69
},
{
"id": "mp-567772",
"created_at": "2022-09-04T14:46:58.305781Z",
"structure_string": "Na8\n1.0\n-4.193878 4.193878 4.193878\n4.193878 -4.193878 4.193878\n4.193878 4.193878 -4.193878\nNa\n8\ndirect\n0.500000 0.000000 0.446984 Na\n0.446984 0.500000 0.000000 Na\n0.000000 0.946984 0.500000 Na\n0.946984 0.500000 0.000000 Na\n0.000000 0.446984 0.500000 Na\n0.500000 0.000000 0.946984 Na\n0.553016 0.553016 0.553016 Na\n0.053016 0.053016 0.053016 Na\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.035061912263127,
"density_atomic": 0.027113314871498408,
"volume": 295.0579830579706,
"volume_molar": 22.21100882920993,
"formula_full": "Na8",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -10.47637763,
"energy_per_atom": -1.30954720375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.47637763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.918000Z",
"spacegroup": 220
},
{
"id": "mp-1007760",
"created_at": "2022-09-04T14:44:12.756311Z",
"structure_string": "Ge4\n1.0\n2.024987 -3.507380 0.000000\n2.024987 3.507380 0.000000\n0.000000 0.000000 6.683957\nGe\n4\ndirect\n0.666667 0.333333 0.062942 Ge\n0.333333 0.666667 0.562942 Ge\n0.666667 0.333333 0.437058 Ge\n0.333333 0.666667 0.937058 Ge\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.081784224344132,
"density_atomic": 0.04212998337214152,
"volume": 94.94425774316832,
"volume_molar": 14.294192112076988,
"formula_full": "Ge4",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -18.40512385,
"energy_per_atom": -4.6012809625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.40512385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.730000Z",
"spacegroup": 194
},
{
"id": "mp-9924",
"created_at": "2022-09-04T14:47:03.395430Z",
"structure_string": "Te1\n1.0\n1.507200 -4.327025 0.000000\n1.507200 4.327025 0.000000\n0.000000 0.000000 2.989988\nTe\n1\ndirect\n0.500000 0.500000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 5.433004202924278,
"density_atomic": 0.025641313535257337,
"volume": 38.99956211779008,
"volume_molar": 23.486085265169557,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.01589919,
"energy_per_atom": -3.01589919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01589919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.897000Z",
"spacegroup": 65
},
{
"id": "mp-1205283",
"created_at": "2022-09-04T14:47:08.851056Z",
"structure_string": "C120\n1.0\n9.118096 0.000000 0.000000\n0.000000 9.634506 0.000000\n0.000000 0.000000 13.322437\nC\n120\ndirect\n0.500000 0.267658 0.271796 C\n0.500000 0.732342 0.728204 C\n0.000000 0.232342 0.771796 C\n0.000000 0.767658 0.228204 C\n0.412357 0.759071 0.302712 C\n0.412357 0.240929 0.697288 C\n0.087643 0.740929 0.802712 C\n0.087643 0.259071 0.197288 C\n0.587643 0.240929 0.697288 C\n0.587643 0.759071 0.302712 C\n0.912357 0.259071 0.197288 C\n0.912357 0.740929 0.802712 C\n0.077412 0.392295 0.429945 C\n0.077412 0.607705 0.570055 C\n0.422588 0.107705 0.929945 C\n0.422588 0.892295 0.070055 C\n0.922588 0.607705 0.570055 C\n0.922588 0.392295 0.429945 C\n0.577412 0.892295 0.070055 C\n0.577412 0.107705 0.929945 C\n0.413976 0.489393 0.252007 C\n0.413976 0.510607 0.747993 C\n0.086024 0.010607 0.752007 C\n0.086024 0.989393 0.247993 C\n0.586024 0.510607 0.747993 C\n0.586024 0.489393 0.252007 C\n0.913976 0.989393 0.247993 C\n0.913976 0.010607 0.752007 C\n0.224688 0.602534 0.366641 C\n0.224688 0.397466 0.633359 C\n0.275312 0.897466 0.866641 C\n0.275312 0.102534 0.133359 C\n0.775312 0.397466 0.633359 C\n0.775312 0.602534 0.366641 C\n0.724688 0.102534 0.133359 C\n0.724688 0.897466 0.866641 C\n0.281173 0.760612 0.222119 C\n0.281173 0.239388 0.777881 C\n0.218827 0.739388 0.722119 C\n0.218827 0.260612 0.277881 C\n0.718827 0.239388 0.777881 C\n0.718827 0.760612 0.222119 C\n0.781173 0.260612 0.277881 C\n0.781173 0.739388 0.722119 C\n0.365650 0.348228 0.255963 C\n0.365650 0.651772 0.744037 C\n0.134350 0.151772 0.755963 C\n0.134350 0.848228 0.244037 C\n0.634350 0.651772 0.744037 C\n0.634350 0.348228 0.255963 C\n0.865650 0.848228 0.244037 C\n0.865650 0.151772 0.755963 C\n0.329557 0.620965 0.283501 C\n0.329557 0.379035 0.716499 C\n0.170443 0.879035 0.783501 C\n0.170443 0.120965 0.216499 C\n0.670443 0.379035 0.716499 C\n0.670443 0.620965 0.283501 C\n0.829557 0.120965 0.216499 C\n0.829557 0.879035 0.783501 C\n0.149761 0.491370 0.385322 C\n0.149761 0.508630 0.614678 C\n0.350239 0.008630 0.885322 C\n0.350239 0.991370 0.114678 C\n0.850239 0.508630 0.614678 C\n0.850239 0.491370 0.385322 C\n0.649761 0.991370 0.114678 C\n0.649761 0.008630 0.885322 C\n0.500000 0.833747 0.653448 C\n0.500000 0.166253 0.346552 C\n0.000000 0.666253 0.153448 C\n0.000000 0.333747 0.846552 C\n0.420768 0.861518 0.488122 C\n0.420768 0.138482 0.511878 C\n0.079232 0.638482 0.988122 C\n0.079232 0.361518 0.011878 C\n0.579232 0.138482 0.511878 C\n0.579232 0.861518 0.488122 C\n0.920768 0.361518 0.011878 C\n0.920768 0.638482 0.988122 C\n0.230220 0.719627 0.434901 C\n0.230220 0.280373 0.565099 C\n0.269780 0.780373 0.934901 C\n0.269780 0.219627 0.065099 C\n0.769780 0.280373 0.565099 C\n0.769780 0.719627 0.434901 C\n0.730220 0.219627 0.065099 C\n0.730220 0.780373 0.934901 C\n0.238308 0.783884 0.612484 C\n0.238308 0.216116 0.387516 C\n0.261692 0.716116 0.112484 C\n0.261692 0.283884 0.887516 C\n0.761692 0.216116 0.387516 C\n0.761692 0.783884 0.612484 C\n0.738308 0.283884 0.887516 C\n0.738308 0.716116 0.112484 C\n0.371416 0.849384 0.589412 C\n0.371416 0.150616 0.410588 C\n0.128584 0.650616 0.089412 C\n0.128584 0.349384 0.910588 C\n0.628584 0.150616 0.410588 C\n0.628584 0.849384 0.589412 C\n0.871416 0.349384 0.910588 C\n0.871416 0.650616 0.089412 C\n0.348814 0.802768 0.406359 C\n0.348814 0.197232 0.593641 C\n0.151186 0.697232 0.906359 C\n0.151186 0.302768 0.093641 C\n0.651186 0.197232 0.593641 C\n0.651186 0.802768 0.406359 C\n0.848814 0.302768 0.093641 C\n0.848814 0.697232 0.906359 C\n0.168962 0.719826 0.531859 C\n0.168962 0.280174 0.468141 C\n0.331038 0.780174 0.031859 C\n0.331038 0.219826 0.968141 C\n0.831038 0.280174 0.468141 C\n0.831038 0.719826 0.531859 C\n0.668962 0.219826 0.968141 C\n0.668962 0.780174 0.031859 C\n",
"nsites": 120,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.044943794294427,
"density_atomic": 0.10253306951123002,
"volume": 1170.3541166965347,
"volume_molar": 5.873364358159998,
"formula_full": "C120",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1023.52351202,
"energy_per_atom": -8.529362600166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1023.52351202,
"band_gap": 0.1060000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.024000Z",
"spacegroup": 58
},
{
"id": "mp-601273",
"created_at": "2022-09-04T14:40:16.313226Z",
"structure_string": "Sc6\n1.0\n1.616966 -2.800667 0.000000\n1.616966 2.800667 0.000000\n0.000000 0.000000 16.385516\nSc\n6\ndirect\n0.529844 0.000000 0.500000 Sc\n0.470156 0.000000 0.000000 Sc\n0.000000 0.470156 0.333333 Sc\n0.470156 0.470156 0.166667 Sc\n0.000000 0.529844 0.833333 Sc\n0.529844 0.529844 0.666667 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.018107328995218,
"density_atomic": 0.04042953721031817,
"volume": 148.40634877385435,
"volume_molar": 14.895398699896738,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.22857284,
"energy_per_atom": -6.20476214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.22857284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5982564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.478000Z",
"spacegroup": 178
}
]
}