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=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=91",
"results": [
{
"id": "mp-1078538",
"created_at": "2022-09-04T14:40:16.856010Z",
"structure_string": "Fe4 Se4\n1.0\n3.853519 0.000000 0.000000\n0.000000 5.056220 0.000000\n0.000000 0.000000 6.592125\nFe Se\n4 4\ndirect\n0.750000 0.497095 0.244075 Fe\n0.750000 0.997095 0.255925 Fe\n0.250000 0.502905 0.755925 Fe\n0.250000 0.002905 0.744075 Fe\n0.750000 0.241330 0.916027 Se\n0.750000 0.741330 0.583973 Se\n0.250000 0.758670 0.083973 Se\n0.250000 0.258670 0.416027 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 6.971178270222315,
"density_atomic": 0.06228465831510696,
"volume": 128.44254454326233,
"volume_molar": 9.668738535151196,
"formula_full": "Fe4 Se4",
"formula_reduced": "FeSe",
"formula_anonymous": "AB",
"energy": -49.00758514,
"energy_per_atom": -6.1259481425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.11958514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039799,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.915000Z",
"spacegroup": 62
},
{
"id": "mp-722819",
"created_at": "2022-09-04T14:40:24.594051Z",
"structure_string": "K1 C1\n1.0\n0.000000 3.092474 3.092474\n3.092474 0.000000 3.092474\n3.092474 3.092474 0.000000\nK C\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"C"
],
"chemical_system": "C-K",
"density": 1.4348229495835734,
"density_atomic": 0.0338128539828864,
"volume": 59.14910350401815,
"volume_molar": 17.810211356450328,
"formula_full": "K1 C1",
"formula_reduced": "KC",
"formula_anonymous": "AB",
"energy": -5.70472976,
"energy_per_atom": -2.85236488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70472976,
"band_gap": 0.5945,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0010171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.335000Z",
"spacegroup": 225
},
{
"id": "mp-809",
"created_at": "2022-09-04T14:40:24.121419Z",
"structure_string": "Th1 Co5\n1.0\n2.470702 -4.279382 0.000000\n2.470702 4.279382 0.000000\n0.000000 0.000000 4.020311\nTh Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Co"
],
"chemical_system": "Co-Th",
"density": 10.287851212180048,
"density_atomic": 0.07057651055104808,
"volume": 85.01412089026692,
"volume_molar": 8.532783376480733,
"formula_full": "Th1 Co5",
"formula_reduced": "ThCo5",
"formula_anonymous": "AB5",
"energy": -43.8165845,
"energy_per_atom": -7.302764083333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.8165845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2623943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.215000Z",
"spacegroup": 191
},
{
"id": "mp-849537",
"created_at": "2022-09-04T14:40:14.398289Z",
"structure_string": "V12 O22\n1.0\n2.885819 -5.107807 0.000000\n2.885819 5.107807 0.000000\n0.000000 0.000000 13.401203\nV O\n12 22\ndirect\n0.999354 0.000646 0.648787 V\n0.999354 0.000646 0.851213 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.669264 0.330736 0.250000 V\n0.330736 0.669264 0.750000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000646 0.999354 0.351213 V\n0.000646 0.999354 0.148787 V\n0.156322 0.301502 0.750000 O\n0.840154 0.159846 0.250000 O\n0.171841 0.342455 0.426174 O\n0.171841 0.342455 0.073826 O\n0.824654 0.175346 0.574459 O\n0.824654 0.175346 0.925541 O\n0.698498 0.843678 0.750000 O\n0.657545 0.828159 0.426174 O\n0.333447 0.666553 0.913696 O\n0.333447 0.666553 0.586304 O\n0.657545 0.828159 0.073826 O\n0.342455 0.171841 0.573826 O\n0.666553 0.333447 0.086304 O\n0.666553 0.333447 0.413696 O\n0.342455 0.171841 0.926174 O\n0.301502 0.156322 0.250000 O\n0.175346 0.824654 0.425541 O\n0.175346 0.824654 0.074459 O\n0.828159 0.657545 0.573826 O\n0.828159 0.657545 0.926174 O\n0.159846 0.840154 0.750000 O\n0.843678 0.698498 0.250000 O\n",
"nsites": 34,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.048801227514153,
"density_atomic": 0.0860600448519919,
"volume": 395.0729988402168,
"volume_molar": 6.997603557326771,
"formula_full": "V12 O22",
"formula_reduced": "V6O11",
"formula_anonymous": "A6B11",
"energy": -301.22939864,
"energy_per_atom": -8.859688195294117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.71539864,
"band_gap": 0.2139000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.827000Z",
"spacegroup": 63
},
{
"id": "mp-1025503",
"created_at": "2022-09-04T14:40:21.153713Z",
"structure_string": "Cr6 Co2\n1.0\n2.541364 -4.401771 0.000000\n2.541364 4.401771 0.000000\n0.000000 0.000000 4.083369\nCr Co\n6 2\ndirect\n0.164791 0.329582 0.250000 Cr\n0.835209 0.670418 0.750000 Cr\n0.670418 0.835209 0.250000 Cr\n0.329582 0.164791 0.750000 Cr\n0.164791 0.835209 0.250000 Cr\n0.835209 0.164791 0.750000 Cr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Co"
],
"chemical_system": "Co-Cr",
"density": 7.812967261862825,
"density_atomic": 0.08756832557947629,
"volume": 91.35723387492737,
"volume_molar": 6.877076522988161,
"formula_full": "Cr6 Co2",
"formula_reduced": "Cr3Co",
"formula_anonymous": "AB3",
"energy": -70.11792917,
"energy_per_atom": -8.76474114625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.11792917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7676674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.747000Z",
"spacegroup": 194
},
{
"id": "mp-7597",
"created_at": "2022-09-04T14:40:17.229436Z",
"structure_string": "Nb1 Se2\n1.0\n7.039994 -1.745727 0.000000\n7.039994 1.745727 0.000000\n6.607101 0.000000 2.992539\nNb Se\n1 2\ndirect\n0.667474 0.667474 0.667474 Nb\n0.414709 0.414709 0.414709 Se\n0.253484 0.253484 0.253484 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Se"
],
"chemical_system": "Nb-Se",
"density": 5.662443416006388,
"density_atomic": 0.040785221205811704,
"volume": 73.55605563253667,
"volume_molar": 14.765497358984224,
"formula_full": "Nb1 Se2",
"formula_reduced": "NbSe2",
"formula_anonymous": "AB2",
"energy": -20.55829361,
"energy_per_atom": -6.852764536666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.61429361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8409451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.471000Z",
"spacegroup": 160
},
{
"id": "mp-1094466",
"created_at": "2022-09-04T14:40:24.372934Z",
"structure_string": "Mg6 Zr2\n1.0\n3.175921 -5.500857 0.000000\n3.175921 5.500857 0.000000\n0.000000 0.000000 5.036908\nMg Zr\n6 2\ndirect\n0.334206 0.167103 0.250000 Mg\n0.832897 0.167103 0.250000 Mg\n0.832897 0.665794 0.250000 Mg\n0.665794 0.832897 0.750000 Mg\n0.167103 0.334206 0.750000 Mg\n0.167103 0.832897 0.750000 Mg\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 3.09739659110332,
"density_atomic": 0.04545649301534533,
"volume": 175.99245936767136,
"volume_molar": 13.248142037633718,
"formula_full": "Mg6 Zr2",
"formula_reduced": "Mg3Zr",
"formula_anonymous": "AB3",
"energy": -26.36007036,
"energy_per_atom": -3.295008795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.36007036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.537000Z",
"spacegroup": 194
},
{
"id": "mp-19932",
"created_at": "2022-09-04T14:40:17.245590Z",
"structure_string": "In16 Se12\n1.0\n4.178928 0.000000 0.000000\n0.000000 12.571130 0.000000\n0.000000 0.000000 15.593679\nIn Se\n16 12\ndirect\n0.000000 0.604582 0.576888 In\n0.000000 0.395418 0.423112 In\n0.500000 0.104582 0.923112 In\n0.500000 0.895418 0.076888 In\n0.500000 0.145432 0.531967 In\n0.500000 0.854568 0.468033 In\n0.000000 0.645432 0.968033 In\n0.000000 0.354568 0.031967 In\n0.500000 0.024604 0.684980 In\n0.500000 0.975396 0.315020 In\n0.000000 0.524604 0.815020 In\n0.000000 0.475396 0.184980 In\n0.500000 0.838173 0.789768 In\n0.500000 0.161827 0.210232 In\n0.000000 0.338173 0.710232 In\n0.000000 0.661827 0.289768 In\n0.500000 0.656298 0.075509 Se\n0.500000 0.343702 0.924491 Se\n0.000000 0.156298 0.424491 Se\n0.000000 0.843702 0.575509 Se\n0.500000 0.636980 0.730682 Se\n0.500000 0.363020 0.269318 Se\n0.000000 0.136980 0.769318 Se\n0.000000 0.863020 0.230682 Se\n0.500000 0.349184 0.596419 Se\n0.500000 0.650816 0.403581 Se\n0.000000 0.849184 0.903581 Se\n0.000000 0.150816 0.096419 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"In",
"Se"
],
"chemical_system": "In-Se",
"density": 5.644498577429334,
"density_atomic": 0.034179856518766406,
"volume": 819.1959490709575,
"volume_molar": 17.618976126168203,
"formula_full": "In16 Se12",
"formula_reduced": "In4Se3",
"formula_anonymous": "A3B4",
"energy": -103.13013618,
"energy_per_atom": -3.6832191492857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.46613618,
"band_gap": 0.1504000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.464000Z",
"spacegroup": 58
},
{
"id": "mp-2497",
"created_at": "2022-09-04T14:40:16.839039Z",
"structure_string": "Gd1 Zn1\n1.0\n3.605799 0.000000 0.000000\n0.000000 3.605799 0.000000\n0.000000 0.000000 3.605799\nGd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Zn"
],
"chemical_system": "Gd-Zn",
"density": 7.886509119761654,
"density_atomic": 0.04266045211793925,
"volume": 46.8818285017419,
"volume_molar": 14.116448516183484,
"formula_full": "Gd1 Zn1",
"formula_reduced": "GdZn",
"formula_anonymous": "AB",
"energy": -16.06595116,
"energy_per_atom": -8.03297558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.06595116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4944345,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.098000Z",
"spacegroup": 221
},
{
"id": "mp-1248557",
"created_at": "2022-09-04T14:40:16.845169Z",
"structure_string": "Mg6 Si6\n1.0\n5.616668 0.095630 -1.407074\n1.933239 3.959060 -0.891300\n-0.645825 0.646734 10.338235\nMg Si\n6 6\ndirect\n0.772398 0.554838 0.095490 Mg\n0.227617 0.278479 0.904516 Mg\n0.856166 0.813295 0.660993 Mg\n0.143851 0.020021 0.339014 Mg\n0.544984 0.535961 0.775282 Mg\n0.455032 0.297355 0.224724 Mg\n0.770823 0.734137 0.378440 Si\n0.263887 0.516081 0.506073 Si\n0.205886 0.890150 0.083618 Si\n0.794130 0.943168 0.916388 Si\n0.229195 0.099179 0.621567 Si\n0.736132 0.317235 0.493934 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3105308233278388,
"density_atomic": 0.05311780514867175,
"volume": 225.91294889563162,
"volume_molar": 11.337329814634833,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.81687468,
"energy_per_atom": -3.4014062233333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.24287468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.830000Z",
"spacegroup": 2
},
{
"id": "mp-554573",
"created_at": "2022-09-04T14:40:17.224423Z",
"structure_string": "Si4 O8\n1.0\n2.532216 -4.459465 0.000000\n2.532216 4.459465 0.000000\n0.000000 0.000000 8.378767\nSi O\n4 8\ndirect\n0.330368 0.660627 0.062604 Si\n0.660627 0.330368 0.562604 Si\n0.330368 0.660627 0.437396 Si\n0.660627 0.330368 0.937396 Si\n0.406867 0.406867 0.000000 O\n0.969252 0.528659 0.459356 O\n0.737438 0.417013 0.750000 O\n0.528659 0.969252 0.540644 O\n0.417013 0.737438 0.250000 O\n0.528659 0.969252 0.959356 O\n0.406867 0.406867 0.500000 O\n0.969252 0.528659 0.040644 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.108999501757123,
"density_atomic": 0.06341436215487416,
"volume": 189.23158086322653,
"volume_molar": 9.49649346829727,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -100.47448841,
"energy_per_atom": -8.372874034166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.97848841,
"band_gap": 5.7899,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.014000Z",
"spacegroup": 40
},
{
"id": "mp-530081",
"created_at": "2022-09-04T14:40:17.221372Z",
"structure_string": "Mo30 N32\n1.0\n5.737461 5.642660 0.000000\n-5.737461 5.642660 0.000000\n0.000000 0.004813 9.960035\nMo N\n30 32\ndirect\n0.495021 0.745738 0.010278 Mo\n0.495047 0.744055 0.501063 Mo\n0.613355 0.628507 0.244322 Mo\n0.628507 0.613355 0.744322 Mo\n0.997175 0.743991 0.492569 Mo\n0.745738 0.495021 0.510278 Mo\n0.744055 0.495047 0.001063 Mo\n0.994311 0.743455 0.997795 Mo\n0.877166 0.388887 0.746150 Mo\n0.116051 0.625588 0.256912 Mo\n0.866197 0.353002 0.243230 Mo\n0.245161 0.497145 0.987552 Mo\n0.996940 0.244641 0.008441 Mo\n0.993025 0.244512 0.502137 Mo\n0.242834 0.494704 0.498631 Mo\n0.115107 0.126914 0.243739 Mo\n0.367648 0.375802 0.757015 Mo\n0.126914 0.115107 0.743739 Mo\n0.375802 0.367648 0.257015 Mo\n0.244641 0.996940 0.508441 Mo\n0.497145 0.245161 0.487552 Mo\n0.244512 0.993025 0.002137 Mo\n0.494704 0.242834 0.998631 Mo\n0.353002 0.866197 0.743230 Mo\n0.388887 0.877166 0.246150 Mo\n0.625588 0.116051 0.756912 Mo\n0.743455 0.994311 0.497795 Mo\n0.743991 0.997175 0.992569 Mo\n0.865921 0.876629 0.755133 Mo\n0.876629 0.865921 0.255133 Mo\n0.248315 0.745705 0.916008 N\n0.372382 0.618977 0.667708 N\n0.363677 0.615966 0.166036 N\n0.497991 0.499418 0.916549 N\n0.749245 0.749055 0.583939 N\n0.499418 0.497991 0.416549 N\n0.615966 0.363677 0.666036 N\n0.618977 0.372382 0.167708 N\n0.863213 0.613334 0.333894 N\n0.874133 0.623635 0.834951 N\n0.999546 0.497813 0.582629 N\n0.745705 0.248315 0.416008 N\n0.748316 0.248905 0.918045 N\n0.997268 0.497257 0.083504 N\n0.117826 0.370020 0.832127 N\n0.865933 0.112444 0.165609 N\n0.870632 0.123850 0.666973 N\n0.119342 0.370099 0.333973 N\n0.998655 0.996836 0.915467 N\n0.249050 0.248630 0.083669 N\n0.996836 0.998655 0.415467 N\n0.248630 0.249050 0.583669 N\n0.370020 0.117826 0.332127 N\n0.112444 0.865933 0.665609 N\n0.123850 0.870632 0.166973 N\n0.370099 0.119342 0.833973 N\n0.497257 0.997268 0.583504 N\n0.248905 0.748316 0.418045 N\n0.497813 0.999546 0.082629 N\n0.613334 0.863213 0.833894 N\n0.623635 0.874133 0.334951 N\n0.749055 0.749245 0.083939 N\n",
"nsites": 62,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.565070860023503,
"density_atomic": 0.0961384686793133,
"volume": 644.9031366082172,
"volume_molar": 6.264028169709989,
"formula_full": "Mo30 N32",
"formula_reduced": "Mo15N16",
"formula_anonymous": "A15B16",
"energy": -625.54931661,
"energy_per_atom": -10.089505106612902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -613.99731661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.143000Z",
"spacegroup": 9
}
]
}