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=12142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12140",
"results": [
{
"id": "mp-23155",
"created_at": "2022-09-04T14:46:23.799344Z",
"structure_string": "Ar1\n1.0\n0.000000 2.820386 2.820386\n2.820386 0.000000 2.820386\n2.820386 2.820386 0.000000\nAr\n1\ndirect\n0.000000 0.000000 0.000000 Ar\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ar"
],
"chemical_system": "Ar",
"density": 1.4783882163665782,
"density_atomic": 0.02228662746560924,
"volume": 44.86995627952735,
"volume_molar": 27.021319261035963,
"formula_full": "Ar1",
"formula_reduced": "Ar",
"formula_anonymous": "A",
"energy": -0.06880822,
"energy_per_atom": -0.06880822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.06880822,
"band_gap": 8.5132,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.260000Z",
"spacegroup": 225
},
{
"id": "mp-1095534",
"created_at": "2022-09-04T14:46:24.019461Z",
"structure_string": "C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8680334376516554,
"density_atomic": 0.09366281990069324,
"volume": 128.11914068702072,
"volume_molar": 6.429595827229016,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -97.26369794,
"energy_per_atom": -8.105308161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.26369794,
"band_gap": 0.3717999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.015000Z",
"spacegroup": 139
},
{
"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-1096915",
"created_at": "2022-09-04T14:46:20.236845Z",
"structure_string": "Cs1\n1.0\n4.338132 3.019011 0.000000\n-4.338132 3.019011 0.000000\n0.000000 2.574936 4.413887\nCs\n1\ndirect\n0.000000 0.000000 0.500000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9088562740358759,
"density_atomic": 0.008649307468195548,
"volume": 115.61619281972685,
"volume_molar": 69.62569872956963,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85319385,
"energy_per_atom": -0.85319385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85319385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.928000Z",
"spacegroup": 12
},
{
"id": "mp-1180008",
"created_at": "2022-09-04T14:46:21.923170Z",
"structure_string": "O12\n1.0\n4.930603 0.000000 0.000000\n-0.010766 5.122171 0.000000\n-0.147329 -0.086799 7.897326\nO\n12\ndirect\n0.422065 0.729541 0.498860 O\n0.589998 0.281141 0.995694 O\n0.226715 0.085877 0.243923 O\n0.771364 0.911815 0.751483 O\n0.275322 0.584439 0.003756 O\n0.717125 0.408134 0.500425 O\n0.083515 0.219289 0.747131 O\n0.918165 0.776300 0.258352 O\n0.023646 0.975316 0.750631 O\n0.975594 0.020692 0.251409 O\n0.468419 0.483054 0.498427 O\n0.528073 0.524401 0.999910 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5984529786519333,
"density_atomic": 0.06016543644767801,
"volume": 199.45006150558925,
"volume_molar": 10.009302874810967,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -54.33728669,
"energy_per_atom": -4.528107224166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.33728669,
"band_gap": 1.2773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.227000Z",
"spacegroup": 1
},
{
"id": "mp-12103",
"created_at": "2022-09-04T14:45:26.408289Z",
"structure_string": "N2\n1.0\n1.964502 -3.402617 0.000000\n1.964502 3.402617 0.000000\n0.000000 0.000000 6.393125\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.5442597096436589,
"density_atomic": 0.023400291164967585,
"volume": 85.46902198354636,
"volume_molar": 25.735324050222527,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -6.25202174,
"energy_per_atom": -3.12601087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.25202174,
"band_gap": 0.9634999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0000805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.588000Z",
"spacegroup": 194
},
{
"id": "mp-567630",
"created_at": "2022-09-04T14:45:30.011347Z",
"structure_string": "Pr6\n1.0\n1.855444 -3.213723 0.000000\n1.855444 3.213723 0.000000\n0.000000 0.000000 18.376027\nPr\n6\ndirect\n0.992180 0.680239 0.916475 Pr\n0.319761 0.311940 0.249809 Pr\n0.688060 0.007820 0.583142 Pr\n0.007820 0.688060 0.416858 Pr\n0.680239 0.992180 0.083525 Pr\n0.311940 0.319761 0.750191 Pr\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.406148646103244,
"density_atomic": 0.02737873273001796,
"volume": 219.14820014374217,
"volume_molar": 21.995688476104462,
"formula_full": "Pr6",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -28.63573664,
"energy_per_atom": -4.7726227733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.63573664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0632023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.899000Z",
"spacegroup": 152
},
{
"id": "mp-1018088",
"created_at": "2022-09-04T14:45:28.695608Z",
"structure_string": "C4\n1.0\n-2.061874 2.061874 2.061874\n2.061874 -2.061874 2.061874\n2.061874 2.061874 -2.061874\nC\n4\ndirect\n0.500000 0.000000 0.250000 C\n0.250000 0.500000 0.000000 C\n0.000000 0.250000 0.500000 C\n0.250000 0.250000 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2752600958372424,
"density_atomic": 0.11408108243048332,
"volume": 35.06278091669974,
"volume_molar": 5.278825052935192,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -31.69035403,
"energy_per_atom": -7.9225885075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.69035403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0256562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.493000Z",
"spacegroup": 214
},
{
"id": "mp-1184808",
"created_at": "2022-09-04T14:45:27.512005Z",
"structure_string": "K8\n1.0\n8.368584 0.000000 0.000000\n0.000000 8.368584 0.000000\n0.000000 0.000000 8.368584\nK\n8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.250000 0.000000 K\n0.500000 0.750000 0.000000 K\n0.000000 0.500000 0.250000 K\n0.250000 0.000000 0.500000 K\n0.750000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.750000 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8862189246155033,
"density_atomic": 0.013650043889516222,
"volume": 586.078701632917,
"volume_molar": 44.11810547089335,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.61405937,
"energy_per_atom": -1.07675742125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.61405937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0089307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.820000Z",
"spacegroup": 223
},
{
"id": "mp-567144",
"created_at": "2022-09-04T14:45:26.407873Z",
"structure_string": "Sb4\n1.0\n-4.107000 4.107000 2.028685\n4.107000 -4.107000 2.028685\n4.107000 4.107000 -2.028685\nSb\n4\ndirect\n0.650122 0.849878 0.500000 Sb\n0.150122 0.650122 0.800243 Sb\n0.349878 0.150122 0.500000 Sb\n0.849878 0.349878 0.199757 Sb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.908669698900873,
"density_atomic": 0.02922375217101227,
"volume": 136.87496309826,
"volume_molar": 20.607007357438185,
"formula_full": "Sb4",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -15.3789281,
"energy_per_atom": -3.844732025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.3789281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058366,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.219000Z",
"spacegroup": 140
},
{
"id": "mp-734188",
"created_at": "2022-09-04T14:45:30.199651Z",
"structure_string": "O12\n1.0\n5.168494 0.000000 0.000000\n0.000000 5.168494 0.000000\n0.000000 0.000000 7.549121\nO\n12\ndirect\n0.929491 0.268963 0.500842 O\n0.070509 0.731037 0.000842 O\n0.731037 0.929491 0.750842 O\n0.268963 0.070509 0.250842 O\n0.768594 0.429704 0.999202 O\n0.231406 0.570296 0.499202 O\n0.570296 0.768594 0.249202 O\n0.429704 0.231406 0.749202 O\n0.512040 0.009594 0.249943 O\n0.487960 0.990406 0.749943 O\n0.990406 0.512040 0.499943 O\n0.009594 0.487960 0.999943 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5809190054343385,
"density_atomic": 0.05950546135589384,
"volume": 201.66216220440137,
"volume_molar": 10.120316056340474,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -54.15860544,
"energy_per_atom": -4.51321712,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.15860544,
"band_gap": 1.2707000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.415000Z",
"spacegroup": 92
},
{
"id": "mp-644693",
"created_at": "2022-09-04T14:42:44.944253Z",
"structure_string": "Si8\n1.0\n4.251195 3.402014 0.334893\n-3.049673 1.285385 2.201116\n0.268226 -5.755341 7.101364\nSi\n8\ndirect\n0.827655 0.094740 0.082333 Si\n0.211002 0.000724 0.059711 Si\n0.003634 0.566595 0.240718 Si\n0.361705 0.125707 0.628459 Si\n0.069501 0.841008 0.801645 Si\n0.842253 0.286715 0.682330 Si\n0.132669 0.567874 0.511322 Si\n0.566418 0.509253 0.000092 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906980650944,
"density_atomic": 0.04594857658765638,
"volume": 174.10767849877462,
"volume_molar": 13.10626184145558,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -40.08159,
"energy_per_atom": -5.01019875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.08159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.529000Z",
"spacegroup": 1
}
]
}