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=12149",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12147",
"results": [
{
"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-1056351",
"created_at": "2022-09-04T14:46:26.270611Z",
"structure_string": "Mg1\n1.0\n-1.825264 1.825264 1.700467\n1.825264 -1.825264 1.700467\n1.825264 1.825264 -1.700467\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7810050334772547,
"density_atomic": 0.04412862789374627,
"volume": 22.661026361567792,
"volume_molar": 13.646789051543191,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57155674,
"energy_per_atom": -1.57155674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57155674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.534000Z",
"spacegroup": 139
},
{
"id": "mp-1178608",
"created_at": "2022-09-04T14:46:26.216241Z",
"structure_string": "Zr1\n1.0\n1.458969 -2.527009 0.000000\n1.458969 2.527009 0.000000\n0.000000 0.000000 7.600479\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 2.7029275000963153,
"density_atomic": 0.01784334152775591,
"volume": 56.04331444558559,
"volume_molar": 33.75007282482578,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -6.74613904,
"energy_per_atom": -6.74613904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.74613904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0513561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.392000Z",
"spacegroup": 191
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1059528",
"created_at": "2022-09-04T14:45:42.295403Z",
"structure_string": "Pr2\n1.0\n1.856093 3.217114 0.000000\n-1.856093 3.217114 0.000000\n0.000000 2.158271 6.073481\nPr\n2\ndirect\n0.760648 0.760648 0.749613 Pr\n0.239352 0.239352 0.250387 Pr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4517838455787135,
"density_atomic": 0.027573769404710156,
"volume": 72.53270202725201,
"volume_molar": 21.84010706556245,
"formula_full": "Pr2",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -9.54240858,
"energy_per_atom": -4.77120429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54240858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.784000Z",
"spacegroup": 12
},
{
"id": "mp-1244913",
"created_at": "2022-09-04T14:45:59.057073Z",
"structure_string": "C100\n1.0\n10.676986 0.014026 0.303512\n0.019613 10.737367 -0.470846\n0.291581 -0.474653 10.412325\nC\n100\ndirect\n0.702196 0.589171 0.071799 C\n0.767460 0.916671 0.898162 C\n0.520835 0.607691 0.769295 C\n0.019672 0.660022 0.221917 C\n0.020399 0.516714 0.543864 C\n0.113525 0.533171 0.448133 C\n0.782043 0.427325 0.361170 C\n0.115028 0.084909 0.851911 C\n0.354379 0.273765 0.687861 C\n0.132614 0.971385 0.829185 C\n0.406379 0.565725 0.850047 C\n0.019124 0.415868 0.752921 C\n0.363863 0.608332 0.080727 C\n0.459395 0.046887 0.505807 C\n0.761800 0.039833 0.868420 C\n0.720527 0.335708 0.288976 C\n0.144283 0.746557 0.048066 C\n0.231102 0.803948 0.958270 C\n0.090123 0.504040 0.670205 C\n0.109082 0.976179 0.109517 C\n0.228348 0.682134 0.655826 C\n0.776488 0.363297 0.785772 C\n0.704988 0.255703 0.793188 C\n0.407010 0.191962 0.218213 C\n0.023347 0.198019 0.646223 C\n0.941611 0.704037 0.874220 C\n0.896316 0.498837 0.349688 C\n0.192781 0.284141 0.938651 C\n0.756674 0.875431 0.019570 C\n0.550538 0.519124 0.443429 C\n0.450755 0.461534 0.378664 C\n0.525067 0.605205 0.922271 C\n0.284761 0.292367 0.037738 C\n0.063088 0.730336 0.813732 C\n0.574442 0.559883 0.045293 C\n0.968674 0.778148 0.267151 C\n0.737162 0.805727 0.109162 C\n0.751657 0.141844 0.826556 C\n0.472656 0.983724 0.114346 C\n0.962259 0.560402 0.266078 C\n0.789564 0.034574 0.372854 C\n0.654077 0.682368 0.293993 C\n0.466985 0.552495 0.135016 C\n0.755028 0.813055 0.794913 C\n0.579404 0.017218 0.471965 C\n0.401806 0.666516 0.963094 C\n0.275346 0.349313 0.518641 C\n0.913846 0.651910 0.985793 C\n0.635985 0.492516 0.553664 C\n0.199760 0.527896 0.365559 C\n0.108182 0.869395 0.021982 C\n0.939502 0.884087 0.309842 C\n0.368163 0.353917 0.416223 C\n0.018993 0.080499 0.416608 C\n0.109817 0.216517 0.862195 C\n0.396255 0.227580 0.358511 C\n0.273517 0.387862 0.946048 C\n0.820053 0.703694 0.814604 C\n0.901165 0.505001 0.496537 C\n0.251919 0.048946 0.415122 C\n0.283639 0.536313 0.262050 C\n0.137675 0.663713 0.138711 C\n0.703616 0.701294 0.170024 C\n0.265949 0.929588 0.440660 C\n0.323806 0.457774 0.849778 C\n0.274159 0.749123 0.575097 C\n0.011798 0.139049 0.542033 C\n0.576433 0.253511 0.770274 C\n0.546320 0.854739 0.653403 C\n0.770642 0.578463 0.843555 C\n0.607565 0.120605 0.270629 C\n0.500492 0.087578 0.191358 C\n0.659725 0.238556 0.269489 C\n0.029653 0.275797 0.765844 C\n0.540372 0.735210 0.713873 C\n0.644697 0.808339 0.724191 C\n0.123416 0.642078 0.727267 C\n0.288928 0.828643 0.486564 C\n0.134283 0.069764 0.346157 C\n0.131731 0.028124 0.215355 C\n0.251537 0.599181 0.153239 C\n0.801719 0.583104 0.978278 C\n0.413939 0.509333 0.257974 C\n0.314289 0.231490 0.567700 C\n0.763894 0.464518 0.496066 C\n0.425420 0.896895 0.042948 C\n0.617128 0.517543 0.687098 C\n0.604545 0.614347 0.371356 C\n0.130259 0.847649 0.872974 C\n0.521673 0.950100 0.573167 C\n0.666535 0.046951 0.368625 C\n0.223736 0.435823 0.630170 C\n0.912256 0.362978 0.790000 C\n0.358421 0.134665 0.462494 C\n0.717815 0.484191 0.768747 C\n0.365410 0.804249 0.975335 C\n0.343075 0.245537 0.130130 C\n0.295243 0.397716 0.724953 C\n0.467012 0.243549 0.740035 C\n0.910627 0.007101 0.364217 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.6754889811328937,
"density_atomic": 0.08400867967477474,
"volume": 1190.3531919217505,
"volume_molar": 7.168474475868077,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -823.44125448,
"energy_per_atom": -8.2344125448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -823.44125448,
"band_gap": 0.1060000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.0000505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.352000Z",
"spacegroup": 1
},
{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7720891684001192,
"density_atomic": 0.04390771616977905,
"volume": 45.550080360967776,
"volume_molar": 13.715449778152976,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -3.18178778,
"energy_per_atom": -1.59089389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18178778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-123",
"created_at": "2022-09-04T14:45:43.137821Z",
"structure_string": "Nd4\n1.0\n1.853540 -3.210425 0.000000\n1.853540 3.210425 0.000000\n0.000000 0.000000 11.910868\nNd\n4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.758696200879876,
"density_atomic": 0.02821773123628453,
"volume": 141.75484083059422,
"volume_molar": 21.341690122330842,
"formula_full": "Nd4",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -19.07257284,
"energy_per_atom": -4.76814321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07257284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.999000Z",
"spacegroup": 194
},
{
"id": "mp-1183694",
"created_at": "2022-09-04T14:45:58.920184Z",
"structure_string": "Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9031748818855136,
"density_atomic": 0.008623564247910042,
"volume": 115.961332373949,
"volume_molar": 69.83354662730657,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85803644,
"energy_per_atom": -0.85803644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85803644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.151000Z",
"spacegroup": 139
},
{
"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
},
{
"id": "mp-38",
"created_at": "2022-09-04T14:46:06.763435Z",
"structure_string": "Pr4\n1.0\n1.871494 -3.241523 0.000000\n1.871494 3.241523 0.000000\n0.000000 0.000000 12.022758\nPr\n4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.416113132121284,
"density_atomic": 0.027421319159798334,
"volume": 145.87190268600548,
"volume_molar": 21.96152827260368,
"formula_full": "Pr4",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -19.12359658,
"energy_per_atom": -4.780899145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12359658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0209798,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.449000Z",
"spacegroup": 194
}
]
}