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=band_gap&page=24",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=22",
"results": [
{
"id": "mp-1209183",
"created_at": "2022-09-04T14:47:46.741578Z",
"structure_string": "Sm6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.604910\n-4.467870 -7.738578 0.000000\n-4.467870 7.738578 0.000000\nSm Co Sn\n6 16 8\ndirect\n0.783827 0.475359 0.950717 Sm\n0.783827 0.475359 0.524641 Sm\n0.283827 0.524641 0.049283 Sm\n0.783827 0.049283 0.524641 Sm\n0.283827 0.524641 0.475359 Sm\n0.283827 0.950717 0.475359 Sm\n0.618093 0.666667 0.333333 Co\n0.118093 0.333333 0.666667 Co\n0.755928 0.095925 0.191850 Co\n0.755928 0.095925 0.904075 Co\n0.255928 0.904075 0.808150 Co\n0.755928 0.808150 0.904075 Co\n0.255928 0.904075 0.095925 Co\n0.255928 0.191850 0.095925 Co\n0.946449 0.843016 0.686031 Co\n0.946449 0.843016 0.156984 Co\n0.446449 0.156984 0.313969 Co\n0.946449 0.313969 0.156984 Co\n0.446449 0.156984 0.843016 Co\n0.446449 0.686031 0.843016 Co\n0.000289 0.000000 0.000000 Co\n0.500289 0.000000 0.000000 Co\n0.968349 0.666667 0.333333 Sn\n0.468349 0.333333 0.666667 Sn\n0.573252 0.829732 0.659463 Sn\n0.573252 0.829732 0.170268 Sn\n0.073252 0.170268 0.340537 Sn\n0.573252 0.340537 0.170268 Sn\n0.073252 0.170268 0.829732 Sn\n0.073252 0.659463 0.829732 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Sn"
],
"chemical_system": "Co-Sm-Sn",
"density": 8.8248956205583,
"density_atomic": 0.05704735166757627,
"volume": 525.8789255426726,
"volume_molar": 10.556389707785113,
"formula_full": "Sm6 Co16 Sn8",
"formula_reduced": "Sm3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy": -182.88339027,
"energy_per_atom": -6.096113009000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.88339027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9071004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.688000Z",
"spacegroup": 186
},
{
"id": "mp-1187301",
"created_at": "2022-09-04T14:47:54.874411Z",
"structure_string": "Tb3 Pr1\n1.0\n-2.553680 2.553680 5.078510\n2.553680 -2.553680 5.078510\n2.553680 2.553680 -5.078510\nTb Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pr"
],
"chemical_system": "Pr-Tb",
"density": 7.742585052095704,
"density_atomic": 0.030194701298483697,
"volume": 132.47357410357526,
"volume_molar": 19.944362755800523,
"formula_full": "Tb3 Pr1",
"formula_reduced": "Tb3Pr",
"formula_anonymous": "AB3",
"energy": -18.59512834,
"energy_per_atom": -4.648782085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.59512834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.298000Z",
"spacegroup": 139
},
{
"id": "mp-1221977",
"created_at": "2022-09-04T14:47:54.882330Z",
"structure_string": "Mn4 Te3 Se1\n1.0\n2.065860 -3.578174 0.000000\n2.065860 3.578174 0.000000\n0.000000 0.000000 11.901783\nMn Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.115003 Mn\n0.000000 0.000000 0.625656 Mn\n0.000000 0.000000 0.374344 Mn\n0.000000 0.000000 0.884997 Mn\n0.666667 0.333333 0.500000 Te\n0.333333 0.666667 0.247889 Te\n0.333333 0.666667 0.752111 Te\n0.666667 0.333333 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Te",
"Se"
],
"chemical_system": "Mn-Se-Te",
"density": 6.431590034757796,
"density_atomic": 0.04546588207806901,
"volume": 175.95611553875236,
"volume_molar": 13.245406191964875,
"formula_full": "Mn4 Te3 Se1",
"formula_reduced": "Mn4Te3Se",
"formula_anonymous": "AB3C4",
"energy": -52.38879374,
"energy_per_atom": -6.5485992175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.65079374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3208443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:00.764000Z",
"spacegroup": 187
},
{
"id": "mp-1097873",
"created_at": "2022-09-04T14:47:54.885908Z",
"structure_string": "Nd1 B4\n1.0\n3.301189 2.806126 0.000000\n-3.301189 2.806126 0.000000\n0.000000 2.683898 3.300401\nNd B\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.761893 0.498889 0.736088 B\n0.501111 0.238107 0.263912 B\n0.238107 0.501111 0.263912 B\n0.498889 0.761893 0.736088 B\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"B"
],
"chemical_system": "B-Nd",
"density": 5.091475734141467,
"density_atomic": 0.08177032833843657,
"volume": 61.14687444210401,
"volume_molar": 7.364701698487936,
"formula_full": "Nd1 B4",
"formula_reduced": "NdB4",
"formula_anonymous": "AB4",
"energy": -30.3335038,
"energy_per_atom": -6.06670076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.3335038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.499000Z",
"spacegroup": 12
},
{
"id": "mp-1224737",
"created_at": "2022-09-04T14:47:54.885481Z",
"structure_string": "Fe2 Cu1 Ni1 Pt4\n1.0\n2.719927 0.000000 0.000000\n0.000000 2.719927 0.000000\n0.000000 0.000000 14.886987\nFe Cu Ni Pt\n2 1 1 4\ndirect\n0.000000 0.000000 0.498876 Fe\n0.000000 0.000000 0.750639 Fe\n0.000000 0.000000 0.001642 Cu\n0.000000 0.000000 0.248539 Ni\n0.500000 0.500000 0.127822 Pt\n0.500000 0.500000 0.373683 Pt\n0.500000 0.500000 0.624501 Pt\n0.500000 0.500000 0.874299 Pt\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Fe",
"Cu",
"Ni",
"Pt"
],
"chemical_system": "Cu-Fe-Ni-Pt",
"density": 15.29253215960206,
"density_atomic": 0.07263880343253436,
"volume": 110.13397277985533,
"volume_molar": 8.290528581728715,
"formula_full": "Fe2 Cu1 Ni1 Pt4",
"formula_reduced": "Fe2CuNiPt4",
"formula_anonymous": "ABC2D4",
"energy": -52.46041292,
"energy_per_atom": -6.557551615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.46041292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8559239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:45.751000Z",
"spacegroup": 99
},
{
"id": "mp-1180426",
"created_at": "2022-09-04T14:47:54.898556Z",
"structure_string": "Na4 Ge2 S6 O14\n1.0\n6.826531 0.000000 0.000000\n0.519914 7.291080 0.000000\n1.002855 3.197291 9.054667\nNa Ge S O\n4 2 6 14\ndirect\n0.209388 0.387962 0.561282 Na\n0.790612 0.612038 0.438718 Na\n0.528624 0.425741 0.789027 Na\n0.471376 0.574259 0.210973 Na\n0.100786 0.016567 0.129450 Ge\n0.899214 0.983433 0.870550 Ge\n0.973616 0.415920 0.099547 S\n0.026384 0.584080 0.900453 S\n0.214589 0.944393 0.425921 S\n0.785411 0.055607 0.574079 S\n0.255108 0.999305 0.890728 S\n0.744892 0.000695 0.109272 S\n0.178794 0.743155 0.173329 O\n0.821206 0.256845 0.826671 O\n0.040268 0.817096 0.468479 O\n0.959732 0.182904 0.531521 O\n0.483510 0.410269 0.041193 O\n0.516490 0.589731 0.958807 O\n0.412329 0.627745 0.576195 O\n0.587671 0.372255 0.423805 O\n0.338031 0.187222 0.777856 O\n0.661969 0.812778 0.222144 O\n0.086841 0.575268 0.268812 O\n0.913159 0.424732 0.731188 O\n0.604108 0.166943 0.471292 O\n0.395892 0.833057 0.528708 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Ge",
"S",
"O"
],
"chemical_system": "Ge-Na-O-S",
"density": 2.4082993403619635,
"density_atomic": 0.05769111526712444,
"volume": 450.67598155475815,
"volume_molar": 10.438593069515067,
"formula_full": "Na4 Ge2 S6 O14",
"formula_reduced": "Na2GeS3O7",
"formula_anonymous": "AB2C3D7",
"energy": -124.59266557,
"energy_per_atom": -4.792025598846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.33866557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.85335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.278000Z",
"spacegroup": 2
},
{
"id": "mp-1048631",
"created_at": "2022-09-04T14:47:56.303371Z",
"structure_string": "Sr3 Ca1 Mn2 S2 O5\n1.0\n-1.986960 1.986960 14.380009\n1.986960 -1.986960 14.380009\n1.986960 1.986960 -14.380009\nSr Ca Mn S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.630772 0.630772 0.000000 Sr\n0.369228 0.369228 0.000000 Sr\n0.750000 0.250000 0.500000 Ca\n0.068189 0.068189 0.000000 Mn\n0.931811 0.931811 0.000000 Mn\n0.184780 0.184780 0.000000 S\n0.815220 0.815220 0.000000 S\n0.075073 0.575073 0.500000 O\n0.575313 0.075313 0.500000 O\n0.924687 0.424687 0.500000 O\n0.424927 0.924927 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"S",
"O"
],
"chemical_system": "Ca-Mn-O-S-Sr",
"density": 4.072498754127556,
"density_atomic": 0.05724610654240468,
"volume": 227.0896797211935,
"volume_molar": 10.519738587879576,
"formula_full": "Sr3 Ca1 Mn2 S2 O5",
"formula_reduced": "Sr3CaMn2S2O5",
"formula_anonymous": "AB2C2D3E5",
"energy": -90.38091338,
"energy_per_atom": -6.952377952307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.60391338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.094000Z",
"spacegroup": 119
},
{
"id": "mp-1079717",
"created_at": "2022-09-04T14:47:55.157810Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n-2.056452 2.056452 10.677119\n2.056452 -2.056452 10.677119\n2.056452 2.056452 -10.677119\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316955 0.316955 0.000000 Sr\n0.683045 0.683045 0.000000 Sr\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.904532 0.904532 0.000000 Sb\n0.095468 0.095468 0.000000 Sb\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb-Sr-Ti",
"density": 5.226619161620083,
"density_atomic": 0.049830045182920696,
"volume": 180.61392412874554,
"volume_molar": 12.085360825769623,
"formula_full": "Sr2 Ti2 Sb2 O1 F2",
"formula_reduced": "Sr2Ti2Sb2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy": -58.23919773,
"energy_per_atom": -6.47102197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.24419773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0412606,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.363000Z",
"spacegroup": 139
},
{
"id": "mp-21198",
"created_at": "2022-09-04T14:47:56.739889Z",
"structure_string": "Dy2 Ag2 Sn2\n1.0\n2.372678 -4.109600 0.000000\n2.372678 4.109600 0.000000\n0.000000 0.000000 7.416692\nDy Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.725040 Dy\n0.000000 0.000000 0.225040 Dy\n0.666667 0.333333 0.537234 Ag\n0.333333 0.666667 0.037234 Ag\n0.333333 0.666667 0.445726 Sn\n0.666667 0.333333 0.945726 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ag",
"Sn"
],
"chemical_system": "Ag-Dy-Sn",
"density": 8.933824059644557,
"density_atomic": 0.041483238611811114,
"volume": 144.6367304189138,
"volume_molar": 14.517045827481214,
"formula_full": "Dy2 Ag2 Sn2",
"formula_reduced": "DyAgSn",
"formula_anonymous": "ABC",
"energy": -26.45857987,
"energy_per_atom": -4.409763311666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.45857987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.761000Z",
"spacegroup": 186
},
{
"id": "mp-975425",
"created_at": "2022-09-04T14:47:54.992070Z",
"structure_string": "Rb1 As1 O3\n1.0\n3.939416 0.000000 0.000000\n0.000000 3.939416 0.000000\n0.000000 0.000000 3.939416\nRb As O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 As\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"As",
"O"
],
"chemical_system": "As-O-Rb",
"density": 5.660117370269648,
"density_atomic": 0.08178515308411889,
"volume": 61.135790683882746,
"volume_molar": 7.36336673944477,
"formula_full": "Rb1 As1 O3",
"formula_reduced": "RbAsO3",
"formula_anonymous": "ABC3",
"energy": -27.28617613,
"energy_per_atom": -5.457235226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.22517613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.953000Z",
"spacegroup": 221
},
{
"id": "mp-1386542",
"created_at": "2022-09-04T14:47:46.481367Z",
"structure_string": "Te6 As4 O22\n1.0\n-6.682768 0.000000 0.000000\n1.694878 7.653843 0.000000\n-0.039011 -4.003136 -9.883189\nTe As O\n6 4 22\ndirect\n0.312610 0.249331 0.521638 Te\n0.687390 0.750669 0.478362 Te\n0.206926 0.537338 0.800022 Te\n0.793074 0.462662 0.199978 Te\n0.232521 0.109581 0.840679 Te\n0.767479 0.890419 0.159321 Te\n0.684755 0.404910 0.887903 As\n0.315245 0.595090 0.112097 As\n0.811237 0.113969 0.605949 As\n0.188763 0.886031 0.394051 As\n0.797993 0.353939 0.054000 O\n0.202007 0.646061 0.946000 O\n0.257777 0.348732 0.688835 O\n0.742223 0.651268 0.311165 O\n0.525431 0.567781 0.847429 O\n0.474569 0.432219 0.152571 O\n0.297213 0.034058 0.683409 O\n0.702787 0.965942 0.316591 O\n0.913920 0.067960 0.770359 O\n0.086080 0.932040 0.229641 O\n0.994072 0.205650 0.487435 O\n0.005928 0.794350 0.512565 O\n0.170882 0.289120 0.928297 O\n0.829118 0.710880 0.071703 O\n0.555903 0.190441 0.885226 O\n0.444097 0.809559 0.114774 O\n0.649361 0.274596 0.554783 O\n0.350639 0.725404 0.445217 O\n0.871191 0.504193 0.775229 O\n0.128809 0.495807 0.224771 O\n0.676686 0.902859 0.594543 O\n0.323314 0.097141 0.405457 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Te",
"As",
"O"
],
"chemical_system": "As-O-Te",
"density": 4.655535449171073,
"density_atomic": 0.06330192891028608,
"volume": 505.51382163016905,
"volume_molar": 9.513360593695033,
"formula_full": "Te6 As4 O22",
"formula_reduced": "Te3As2O11",
"formula_anonymous": "A2B3C11",
"energy": -121.72300796,
"energy_per_atom": -3.80384399875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.60900796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.141000Z",
"spacegroup": 2
},
{
"id": "mp-781502",
"created_at": "2022-09-04T14:47:55.807792Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.228154 0.000000 0.000000\n0.365350 6.137125 0.000000\n2.339600 1.079513 11.710034\nLi Mn B O\n4 6 6 18\ndirect\n0.041524 0.411744 0.098958 Li\n0.371555 0.765841 0.423696 Li\n0.962778 0.591666 0.897919 Li\n0.693265 0.100988 0.756461 Li\n0.597479 0.249867 0.999796 Mn\n0.947039 0.576518 0.325091 Mn\n0.269450 0.912319 0.661203 Mn\n0.742693 0.088158 0.334697 Mn\n0.067342 0.423095 0.664752 Mn\n0.396671 0.769101 0.008905 Mn\n0.840029 0.836526 0.115110 B\n0.484129 0.477836 0.224360 B\n0.820594 0.806639 0.554082 B\n0.179994 0.186248 0.445141 B\n0.515598 0.538121 0.781740 B\n0.157656 0.148930 0.884176 B\n0.613901 0.942113 0.094360 O\n0.998781 0.721101 0.033803 O\n0.396964 0.449469 0.125362 O\n0.903234 0.844902 0.223747 O\n0.331749 0.577374 0.312896 O\n0.742966 0.407995 0.232853 O\n0.078674 0.738553 0.565092 O\n0.743645 0.777625 0.452354 O\n0.661350 0.906013 0.641294 O\n0.342437 0.073636 0.367929 O\n0.214270 0.181796 0.559077 O\n0.950642 0.296448 0.419464 O\n0.263170 0.626835 0.762690 O\n0.663169 0.414769 0.703865 O\n0.067320 0.108806 0.785801 O\n0.588477 0.567145 0.884517 O\n0.008285 0.273792 0.964133 O\n0.407383 0.072682 0.896351 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1389709475791068,
"density_atomic": 0.09049142356110815,
"volume": 375.7262142863745,
"volume_molar": 6.654929851924913,
"formula_full": "Li4 Mn6 B6 O18",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -275.25502807000004,
"energy_per_atom": -8.095736119705883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.88102807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.218000Z",
"spacegroup": 1
}
]
}