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=62",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=60",
"results": [
{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.37022588,
"energy_per_atom": -5.37022588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4577781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-2",
"created_at": "2022-09-04T14:47:22.539860Z",
"structure_string": "Pd1\n1.0\n0.000000 1.978533 1.978533\n1.978533 0.000000 1.978533\n1.978533 1.978533 0.000000\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.408077466103864,
"density_atomic": 0.06455651975719152,
"volume": 15.490302199703093,
"volume_molar": 9.328478026154967,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy": -5.17988181,
"energy_per_atom": -5.17988181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.17988181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4002472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.489000Z",
"spacegroup": 225
},
{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.988924128677636,
"density_atomic": 0.03760012434200997,
"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.00736911,
"energy_per_atom": -1.00736911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.00736911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4090095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.788000Z",
"spacegroup": 229
},
{
"id": "mp-1245266",
"created_at": "2022-09-04T14:48:29.230725Z",
"structure_string": "Zn100\n1.0\n11.852147 0.555593 -0.003177\n0.556447 11.729898 0.317598\n-0.016631 0.314876 11.711352\nZn\n100\ndirect\n0.812849 0.710133 0.569504 Zn\n0.313446 0.180893 0.118243 Zn\n0.995821 0.326194 0.403270 Zn\n0.279716 0.538235 0.192813 Zn\n0.118034 0.166417 0.635176 Zn\n0.407350 0.891187 0.613374 Zn\n0.612214 0.925130 0.164087 Zn\n0.241120 0.155527 0.857167 Zn\n0.327120 0.399654 0.029587 Zn\n0.541314 0.800022 0.349265 Zn\n0.701477 0.207596 0.623670 Zn\n0.659752 0.297470 0.227333 Zn\n0.356496 0.639264 0.990679 Zn\n0.127040 0.188797 0.275026 Zn\n0.631146 0.143999 0.862158 Zn\n0.584857 0.720222 0.577557 Zn\n0.038753 0.278499 0.807362 Zn\n0.470359 0.057009 0.005127 Zn\n0.193607 0.004641 0.161964 Zn\n0.712535 0.632433 0.396301 Zn\n0.821238 0.228709 0.818443 Zn\n0.571096 0.591399 0.019764 Zn\n0.439617 0.358296 0.215027 Zn\n0.103156 0.853169 0.858245 Zn\n0.100242 0.762385 0.459317 Zn\n0.848060 0.439544 0.757793 Zn\n0.886325 0.258357 0.200740 Zn\n0.365216 0.675099 0.588174 Zn\n0.047547 0.502558 0.834055 Zn\n0.088242 0.397080 0.602173 Zn\n0.526713 0.508794 0.638922 Zn\n0.695466 0.138004 0.080595 Zn\n0.979140 0.051628 0.762777 Zn\n0.208700 0.807207 0.671687 Zn\n0.857362 0.476959 0.288588 Zn\n0.056063 0.394418 0.166752 Zn\n0.664537 0.576868 0.802429 Zn\n0.567304 0.348497 0.018180 Zn\n0.788263 0.667289 0.180675 Zn\n0.781684 0.267203 0.412624 Zn\n0.922171 0.332774 0.987543 Zn\n0.306102 0.843622 0.415428 Zn\n0.484218 0.284802 0.636824 Zn\n0.825296 0.883311 0.108293 Zn\n0.202320 0.766930 0.237316 Zn\n0.976105 0.041164 0.153482 Zn\n0.931594 0.572353 0.018128 Zn\n0.193596 0.395142 0.356438 Zn\n0.430451 0.251290 0.871685 Zn\n0.261472 0.602631 0.405722 Zn\n0.095878 0.612438 0.634894 Zn\n0.877232 0.648359 0.788255 Zn\n0.461337 0.722867 0.793858 Zn\n0.466039 0.001971 0.413170 Zn\n0.625146 0.418005 0.457362 Zn\n0.486144 0.599687 0.411264 Zn\n0.341742 0.199519 0.343418 Zn\n0.250435 0.839078 0.028726 Zn\n0.087717 0.059273 0.962904 Zn\n0.968433 0.807545 0.273025 Zn\n0.048351 0.603911 0.217426 Zn\n0.888763 0.846828 0.881698 Zn\n0.280453 0.267604 0.550755 Zn\n0.035596 0.787275 0.061742 Zn\n0.302073 0.470705 0.624380 Zn\n0.405465 0.399881 0.430512 Zn\n0.395662 0.918401 0.201872 Zn\n0.515300 0.128264 0.216311 Zn\n0.797866 0.069967 0.278220 Zn\n0.750459 0.841986 0.328371 Zn\n0.738451 0.704861 0.966339 Zn\n0.633698 0.360058 0.786193 Zn\n0.510396 0.949210 0.807804 Zn\n0.440302 0.684200 0.191632 Zn\n0.904762 0.276338 0.610890 Zn\n0.684977 0.800178 0.747833 Zn\n0.251210 0.056357 0.484111 Zn\n0.755605 0.450463 0.070899 Zn\n0.827418 0.483495 0.531614 Zn\n0.365797 0.104807 0.691350 Zn\n0.450988 0.486707 0.854817 Zn\n0.085554 0.974400 0.351902 Zn\n0.014997 0.562329 0.436405 Zn\n0.294971 0.935830 0.831144 Zn\n0.902435 0.890859 0.470032 Zn\n0.864538 0.058566 0.957591 Zn\n0.781785 0.991898 0.697803 Zn\n0.242936 0.384961 0.821261 Zn\n0.611821 0.522402 0.235355 Zn\n0.970945 0.809541 0.675890 Zn\n0.561106 0.203807 0.424284 Zn\n0.480866 0.824319 0.000505 Zn\n0.565458 0.039785 0.615027 Zn\n0.940598 0.113630 0.461671 Zn\n0.679882 0.929357 0.941069 Zn\n0.715799 0.020638 0.470104 Zn\n0.250424 0.616142 0.798739 Zn\n0.141995 0.283319 0.006625 Zn\n0.076375 0.969492 0.577697 Zn\n0.150131 0.582422 0.004598 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.690725740676654,
"density_atomic": 0.06160083812752724,
"volume": 1623.3545360694295,
"volume_molar": 9.776069519594602,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -120.74276352,
"energy_per_atom": -1.2074276352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.74276352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.304000Z",
"spacegroup": 1
},
{
"id": "mp-1184693",
"created_at": "2022-09-04T14:39:24.481502Z",
"structure_string": "In29\n1.0\n-5.862981 5.862981 5.862981\n5.862981 -5.862981 5.862981\n5.862981 5.862981 -5.862981\nIn\n29\ndirect\n0.000000 0.000000 0.000000 In\n0.647175 0.000000 0.000000 In\n0.376946 0.191629 0.000000 In\n0.191629 0.376946 0.000000 In\n0.686162 0.405629 0.000000 In\n0.000000 0.647175 0.000000 In\n0.405629 0.686162 0.000000 In\n0.808371 0.808371 0.185317 In\n0.376946 0.000000 0.191629 In\n0.000000 0.376946 0.191629 In\n0.594371 0.594371 0.280533 In\n0.719467 0.313838 0.313838 In\n0.313838 0.719467 0.313838 In\n0.352825 0.352825 0.352825 In\n0.191629 0.000000 0.376946 In\n0.000000 0.191629 0.376946 In\n0.686162 0.000000 0.405629 In\n0.000000 0.686162 0.405629 In\n0.594371 0.280533 0.594371 In\n0.280533 0.594371 0.594371 In\n0.814683 0.623054 0.623054 In\n0.623054 0.814683 0.623054 In\n0.000000 0.000000 0.647175 In\n0.405629 0.000000 0.686162 In\n0.000000 0.405629 0.686162 In\n0.313838 0.313838 0.719467 In\n0.808371 0.185317 0.808371 In\n0.185317 0.808371 0.808371 In\n0.623054 0.623054 0.814683 In\n",
"nsites": 29,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.858697065179889,
"density_atomic": 0.035973487755392,
"volume": 806.1492451660666,
"volume_molar": 16.740497337785524,
"formula_full": "In29",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -78.25285427,
"energy_per_atom": -2.698374285172414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.25285427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.520000Z",
"spacegroup": 217
},
{
"id": "mp-1080711",
"created_at": "2022-09-04T14:39:32.791518Z",
"structure_string": "N10\n1.0\n-2.878553 2.878553 2.878553\n2.878553 -2.878553 2.878553\n2.878553 2.878553 -2.878553\nN\n10\ndirect\n0.000000 0.713409 0.713409 N\n0.286591 0.000000 0.286591 N\n0.286591 0.286591 0.000000 N\n0.000000 0.286591 0.286591 N\n0.713409 0.000000 0.713409 N\n0.713409 0.713409 0.000000 N\n0.271904 0.000000 0.000000 N\n0.000000 0.271904 0.000000 N\n0.000000 0.000000 0.271904 N\n0.728096 0.728096 0.728096 N\n",
"nsites": 10,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 2.4378234073124623,
"density_atomic": 0.10481352289926871,
"volume": 95.40753638832008,
"volume_molar": 5.745576136952856,
"formula_full": "N10",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -62.98561016,
"energy_per_atom": -6.298561016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.98561016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4750054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.754000Z",
"spacegroup": 217
},
{
"id": "mp-1067758",
"created_at": "2022-09-04T14:39:46.874350Z",
"structure_string": "Bi4\n1.0\n4.577571 0.000000 0.000000\n0.000000 4.613294 0.000000\n0.000000 1.512012 6.642218\nBi\n4\ndirect\n0.250000 0.855686 0.214821 Bi\n0.750000 0.144314 0.785179 Bi\n0.250000 0.677167 0.682104 Bi\n0.750000 0.322833 0.317896 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.895899999797473,
"density_atomic": 0.02851679045798503,
"volume": 140.26823971980178,
"volume_molar": 21.117877093751737,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.21669958,
"energy_per_atom": -3.804174895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.21669958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.940000Z",
"spacegroup": 11
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.84048913,
"energy_per_atom": -3.84048913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84048913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
},
{
"id": "mp-32",
"created_at": "2022-09-04T14:40:25.796908Z",
"structure_string": "Ge2\n1.0\n0.000000 2.881431 2.881431\n2.881431 0.000000 2.881431\n2.881431 2.881431 0.000000\nGe\n2\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.041970034757574,
"density_atomic": 0.04179990813257869,
"volume": 47.84699510957077,
"volume_molar": 14.407066974643339,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -9.24605571,
"energy_per_atom": -4.623027855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24605571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.335000Z",
"spacegroup": 227
},
{
"id": "mp-639736",
"created_at": "2022-09-04T14:40:25.240816Z",
"structure_string": "Rb2\n1.0\n-2.378988 2.378988 8.488669\n2.378988 -2.378988 8.488669\n2.378988 2.378988 -8.488669\nRb\n2\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.4770579166337583,
"density_atomic": 0.010407487600844737,
"volume": 192.16933776002458,
"volume_molar": 57.86354008734256,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.82067884,
"energy_per_atom": -0.91033942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.82067884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.355000Z",
"spacegroup": 141
},
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-12883",
"created_at": "2022-09-04T14:41:02.265157Z",
"structure_string": "P8\n1.0\n4.523025 5.098260 0.000000\n-4.523025 5.098260 0.000000\n0.000000 0.021401 6.000834\nP\n8\ndirect\n0.837502 0.837502 0.755020 P\n0.162498 0.162498 0.244980 P\n0.717865 0.717865 0.450271 P\n0.282135 0.282135 0.549729 P\n0.528690 0.772283 0.747424 P\n0.227717 0.471310 0.252576 P\n0.471310 0.227717 0.252576 P\n0.772283 0.528690 0.747424 P\n",
"nsites": 8,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.4867586182452428,
"density_atomic": 0.028906626448250247,
"volume": 276.75315257980407,
"volume_molar": 20.833080507616717,
"formula_full": "P8",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -42.1937442,
"energy_per_atom": -5.274218025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.1937442,
"band_gap": 3.5354,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.741000Z",
"spacegroup": 12
}
]
}