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=10199",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10197",
"results": [
{
"id": "mp-1227345",
"created_at": "2022-09-04T14:45:33.384519Z",
"structure_string": "Ba1 Tl3 Au1\n1.0\n5.062475 0.000000 0.000000\n0.000000 5.062475 0.000000\n2.531237 2.531237 6.256452\nBa Tl Au\n1 3 1\ndirect\n0.004597 0.004597 0.990806 Ba\n0.741679 0.241679 0.516643 Tl\n0.241679 0.741679 0.516643 Tl\n0.394032 0.394032 0.211936 Tl\n0.618013 0.618013 0.763974 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Au"
],
"chemical_system": "Au-Ba-Tl",
"density": 9.811795858101934,
"density_atomic": 0.031182871442799714,
"volume": 160.3444381051228,
"volume_molar": 19.312335527043146,
"formula_full": "Ba1 Tl3 Au1",
"formula_reduced": "BaTl3Au",
"formula_anonymous": "ABC3",
"energy": -13.93984093,
"energy_per_atom": -2.787968186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.93984093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.736000Z",
"spacegroup": 107
},
{
"id": "mp-31157",
"created_at": "2022-09-04T14:45:53.418449Z",
"structure_string": "Ca3 Sb1 N1\n1.0\n5.757405 0.000000 0.000000\n0.000000 5.757405 0.000000\n0.000000 0.000000 5.757405\nCa Sb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"N"
],
"chemical_system": "Ca-N-Sb",
"density": 2.227459972134415,
"density_atomic": 0.026199298466947046,
"volume": 190.84480473047722,
"volume_molar": 22.985885548032957,
"formula_full": "Ca3 Sb1 N1",
"formula_reduced": "Ca3SbN",
"formula_anonymous": "ABC3",
"energy": -16.08171607,
"energy_per_atom": -3.2163432139999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52871607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.866000Z",
"spacegroup": 221
},
{
"id": "mp-1392353",
"created_at": "2022-09-04T14:45:34.213641Z",
"structure_string": "Al2 Bi2 O6\n1.0\n1.821381 -3.154725 0.000000\n1.821381 3.154725 0.000000\n0.000000 0.000000 12.876102\nAl Bi O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Bi\n0.333333 0.666667 0.250000 Bi\n0.333333 0.666667 0.438303 O\n0.666667 0.333333 0.938303 O\n0.666667 0.333333 0.561697 O\n0.333333 0.666667 0.061697 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.3732324585311035,
"density_atomic": 0.06758079349440536,
"volume": 147.97103559945393,
"volume_molar": 8.911024047828827,
"formula_full": "Al2 Bi2 O6",
"formula_reduced": "AlBiO3",
"formula_anonymous": "ABC3",
"energy": -61.84146843,
"energy_per_atom": -6.184146843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.719468430000006,
"band_gap": 0.6410999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.475000Z",
"spacegroup": 194
},
{
"id": "mp-555123",
"created_at": "2022-09-04T14:45:53.467255Z",
"structure_string": "K1 Mn1 F3\n1.0\n4.260305 0.000000 0.000000\n0.000000 4.260305 0.000000\n0.000000 0.000000 4.260305\nK Mn F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.2433567016178326,
"density_atomic": 0.06466182067221381,
"volume": 77.32538224288785,
"volume_molar": 9.313286723749503,
"formula_full": "K1 Mn1 F3",
"formula_reduced": "KMnF3",
"formula_anonymous": "ABC3",
"energy": -31.10232698,
"energy_per_atom": -6.220465396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.04832698,
"band_gap": 2.6564,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.932000Z",
"spacegroup": 221
},
{
"id": "mp-1194970",
"created_at": "2022-09-04T14:45:32.918929Z",
"structure_string": "K8 As8 O24\n1.0\n5.028961 0.000000 0.000000\n0.000000 11.587857 0.000000\n0.000000 0.000000 11.830755\nK As O\n8 8 24\ndirect\n0.250000 0.500000 0.811867 K\n0.750000 0.000000 0.688133 K\n0.750000 0.500000 0.188133 K\n0.250000 0.000000 0.311867 K\n0.750000 0.500000 0.609694 K\n0.250000 0.000000 0.890306 K\n0.250000 0.500000 0.390306 K\n0.750000 0.000000 0.109694 K\n0.721711 0.730512 0.912395 As\n0.221711 0.769488 0.587605 As\n0.278289 0.230512 0.587605 As\n0.778289 0.269488 0.912395 As\n0.278289 0.269488 0.087605 As\n0.778289 0.230512 0.412395 As\n0.721711 0.769488 0.412395 As\n0.221711 0.730512 0.087605 As\n0.746950 0.874061 0.900285 O\n0.246950 0.625939 0.599715 O\n0.253050 0.374061 0.599715 O\n0.753050 0.125939 0.900285 O\n0.253050 0.125939 0.099715 O\n0.753050 0.374061 0.400285 O\n0.746950 0.625939 0.400285 O\n0.246950 0.874061 0.099715 O\n0.787719 0.638664 0.807546 O\n0.287719 0.861336 0.692454 O\n0.212281 0.138664 0.692454 O\n0.712281 0.361336 0.807546 O\n0.212281 0.361336 0.192454 O\n0.712281 0.138664 0.307546 O\n0.787719 0.861336 0.307546 O\n0.287719 0.638664 0.192454 O\n0.393281 0.685925 0.958826 O\n0.893281 0.814075 0.541174 O\n0.606719 0.185925 0.541174 O\n0.106719 0.314075 0.958826 O\n0.606719 0.314075 0.041174 O\n0.106719 0.185925 0.458826 O\n0.393281 0.814075 0.458826 O\n0.893281 0.685925 0.041174 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"As",
"O"
],
"chemical_system": "As-K-O",
"density": 3.1218265064597777,
"density_atomic": 0.05801845181710172,
"volume": 689.4358388965054,
"volume_molar": 10.379699167058597,
"formula_full": "K8 As8 O24",
"formula_reduced": "KAsO3",
"formula_anonymous": "ABC3",
"energy": -242.1714133,
"energy_per_atom": -6.0542853325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.68341330000004,
"band_gap": 3.0119,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.719000Z",
"spacegroup": 60
},
{
"id": "mp-30937",
"created_at": "2022-09-04T14:45:32.734668Z",
"structure_string": "Hg8 Cl8 O24\n1.0\n6.499923 0.000000 0.000000\n0.000000 8.741893 0.000000\n0.000000 7.157362 13.745709\nHg Cl O\n8 8 24\ndirect\n0.695970 0.823972 0.189371 Hg\n0.195970 0.176028 0.310629 Hg\n0.304030 0.176028 0.810629 Hg\n0.804030 0.823972 0.689371 Hg\n0.324464 0.795668 0.138777 Hg\n0.824464 0.204332 0.361223 Hg\n0.675536 0.204332 0.861223 Hg\n0.175536 0.795668 0.638777 Hg\n0.482338 0.649578 0.862733 Cl\n0.982338 0.350422 0.637267 Cl\n0.517662 0.350422 0.137267 Cl\n0.017662 0.649578 0.362733 Cl\n0.983446 0.743948 0.996943 Cl\n0.483446 0.256052 0.503057 Cl\n0.016554 0.256052 0.003057 Cl\n0.516554 0.743948 0.496943 Cl\n0.824455 0.550294 0.372918 O\n0.324455 0.449706 0.127082 O\n0.175545 0.449706 0.627082 O\n0.675545 0.550294 0.872918 O\n0.191742 0.567777 0.337934 O\n0.691742 0.432223 0.162066 O\n0.808258 0.432223 0.662066 O\n0.308258 0.567777 0.837934 O\n0.981717 0.829548 0.269676 O\n0.481717 0.170452 0.230324 O\n0.018283 0.170452 0.730324 O\n0.518283 0.829548 0.769676 O\n0.663968 0.166973 0.564368 O\n0.163968 0.833027 0.935632 O\n0.336032 0.833027 0.435632 O\n0.836032 0.166973 0.064368 O\n0.290596 0.162722 0.545589 O\n0.790596 0.837278 0.954411 O\n0.709404 0.837278 0.454411 O\n0.209404 0.162722 0.045589 O\n0.489506 0.763297 0.594891 O\n0.989506 0.236703 0.905109 O\n0.510494 0.236703 0.405109 O\n0.010494 0.763297 0.094891 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 4.831028274839969,
"density_atomic": 0.05121287386597477,
"volume": 781.0536097755594,
"volume_molar": 11.759036947936327,
"formula_full": "Hg8 Cl8 O24",
"formula_reduced": "HgClO3",
"formula_anonymous": "ABC3",
"energy": -154.50603721,
"energy_per_atom": -3.8626509302499996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.01803721,
"band_gap": 3.0661,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015317,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.059000Z",
"spacegroup": 14
},
{
"id": "mp-27193",
"created_at": "2022-09-04T14:45:53.616511Z",
"structure_string": "Rb1 I1 O3\n1.0\n3.307209 -3.237699 0.000000\n3.307209 3.237699 0.000000\n0.137559 0.000000 4.626165\nRb I O\n1 1 3\ndirect\n0.491529 0.491529 0.491529 Rb\n0.001356 0.001356 0.001356 I\n0.959867 0.395681 0.959867 O\n0.959867 0.959867 0.395681 O\n0.395681 0.959867 0.959867 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"I",
"O"
],
"chemical_system": "I-O-Rb",
"density": 4.364068893926552,
"density_atomic": 0.05046854425282055,
"volume": 99.07161131798573,
"volume_molar": 11.932463773538382,
"formula_full": "Rb1 I1 O3",
"formula_reduced": "RbIO3",
"formula_anonymous": "ABC3",
"energy": -24.21106254,
"energy_per_atom": -4.842212508,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.15006254,
"band_gap": 2.8369,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.929000Z",
"spacegroup": 160
},
{
"id": "mp-1018644",
"created_at": "2022-09-04T14:45:32.877161Z",
"structure_string": "Y1 B1 Pt3\n1.0\n4.344528 0.000000 0.000000\n0.000000 4.344528 0.000000\n0.000000 0.000000 4.344528\nY B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"B",
"Pt"
],
"chemical_system": "B-Pt-Y",
"density": 13.870500028013893,
"density_atomic": 0.060973651290237386,
"volume": 82.00263382948431,
"volume_molar": 9.876628072237848,
"formula_full": "Y1 B1 Pt3",
"formula_reduced": "YBPt3",
"formula_anonymous": "ABC3",
"energy": -35.01889005,
"energy_per_atom": -7.00377801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.01889005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.281000Z",
"spacegroup": 221
},
{
"id": "mp-861512",
"created_at": "2022-09-04T14:45:53.998206Z",
"structure_string": "Pr4 Cr4 Se12\n1.0\n3.984282 0.000000 0.000000\n0.000000 8.173562 0.000000\n0.000000 0.000000 13.796982\nPr Cr Se\n4 4 12\ndirect\n0.250000 0.903458 0.328913 Pr\n0.750000 0.596542 0.828913 Pr\n0.250000 0.403458 0.171087 Pr\n0.750000 0.096542 0.671087 Pr\n0.250000 0.661108 0.551541 Cr\n0.750000 0.838892 0.051541 Cr\n0.250000 0.161108 0.948459 Cr\n0.750000 0.338892 0.448459 Cr\n0.750000 0.986316 0.891838 Se\n0.250000 0.013684 0.108162 Se\n0.750000 0.486316 0.608162 Se\n0.250000 0.810258 0.711779 Se\n0.750000 0.689742 0.211779 Se\n0.250000 0.310258 0.788221 Se\n0.750000 0.189742 0.288221 Se\n0.250000 0.657490 0.996663 Se\n0.750000 0.842510 0.496663 Se\n0.250000 0.157490 0.503337 Se\n0.750000 0.342510 0.003337 Se\n0.250000 0.513684 0.391838 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Cr",
"Se"
],
"chemical_system": "Cr-Pr-Se",
"density": 6.353507564624519,
"density_atomic": 0.04451275424805624,
"volume": 449.30942463245464,
"volume_molar": 13.529022999656267,
"formula_full": "Pr4 Cr4 Se12",
"formula_reduced": "PrCrSe3",
"formula_anonymous": "ABC3",
"energy": -129.58816543999998,
"energy_per_atom": -6.479408271999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.92416544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0037028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.671000Z",
"spacegroup": 62
},
{
"id": "mp-1232153",
"created_at": "2022-09-04T14:45:32.847495Z",
"structure_string": "Ho6 Mg6 S18\n1.0\n6.649669 0.000000 0.000000\n-3.324835 5.758782 0.000000\n0.000000 0.000000 18.000186\nHo Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.349390 Ho\n0.000000 0.000000 0.650610 Ho\n0.666667 0.333333 0.682723 Ho\n0.666667 0.333333 0.983943 Ho\n0.333333 0.666667 0.016057 Ho\n0.333333 0.666667 0.317277 Ho\n0.000000 0.000000 0.155820 Mg\n0.000000 0.000000 0.844180 Mg\n0.666667 0.333333 0.489153 Mg\n0.666667 0.333333 0.177513 Mg\n0.333333 0.666667 0.822487 Mg\n0.333333 0.666667 0.510847 Mg\n0.984553 0.352404 0.582665 S\n0.015447 0.647596 0.417335 S\n0.647596 0.632149 0.582665 S\n0.352404 0.367851 0.417335 S\n0.367851 0.015447 0.582665 S\n0.632149 0.984553 0.417335 S\n0.651220 0.685737 0.915998 S\n0.682114 0.980929 0.750668 S\n0.314263 0.965482 0.915998 S\n0.019071 0.701184 0.750668 S\n0.034518 0.348780 0.915998 S\n0.298816 0.317886 0.750668 S\n0.317886 0.019071 0.249332 S\n0.348780 0.314263 0.084002 S\n0.980929 0.298816 0.249332 S\n0.685737 0.034518 0.084002 S\n0.701184 0.682114 0.249332 S\n0.965482 0.651220 0.084002 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"S"
],
"chemical_system": "Ho-Mg-S",
"density": 4.125653905932058,
"density_atomic": 0.043522476093556986,
"volume": 689.2990172597547,
"volume_molar": 13.836852358893038,
"formula_full": "Ho6 Mg6 S18",
"formula_reduced": "HoMgS3",
"formula_anonymous": "ABC3",
"energy": -160.72241107,
"energy_per_atom": -5.357413702333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.66841107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.2572474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.684000Z",
"spacegroup": 148
},
{
"id": "mp-1188256",
"created_at": "2022-09-04T14:45:32.466986Z",
"structure_string": "U4 Ni4 Se12\n1.0\n6.255074 0.000000 0.000000\n0.000000 7.387310 0.000000\n0.000000 0.000000 8.840200\nU Ni Se\n4 4 12\ndirect\n0.433506 0.869119 0.250000 U\n0.066494 0.369119 0.250000 U\n0.566494 0.130881 0.750000 U\n0.933506 0.630881 0.750000 U\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.649301 0.538452 0.250000 Se\n0.850699 0.038452 0.250000 Se\n0.350699 0.461548 0.750000 Se\n0.149301 0.961548 0.750000 Se\n0.665926 0.827937 0.551272 Se\n0.834074 0.327937 0.948728 Se\n0.334074 0.172063 0.051272 Se\n0.165926 0.672063 0.448728 Se\n0.334074 0.172063 0.448728 Se\n0.165926 0.672063 0.051272 Se\n0.665926 0.827937 0.948728 Se\n0.834074 0.327937 0.551272 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Ni",
"Se"
],
"chemical_system": "Ni-Se-U",
"density": 8.676527012789041,
"density_atomic": 0.04896087031277549,
"volume": 408.48947071885175,
"volume_molar": 12.299905458234118,
"formula_full": "U4 Ni4 Se12",
"formula_reduced": "UNiSe3",
"formula_anonymous": "ABC3",
"energy": -131.4257236,
"energy_per_atom": -6.5712861799999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.7617236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7162732,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.471000Z",
"spacegroup": 62
},
{
"id": "mp-1020193",
"created_at": "2022-09-04T14:45:27.755267Z",
"structure_string": "K4 N4 O12\n1.0\n5.364639 0.000000 0.000000\n0.000000 4.683243 0.000000\n0.000000 4.471181 13.556719\nK N O\n4 4 12\ndirect\n0.901464 0.600010 0.623105 K\n0.401464 0.399990 0.876895 K\n0.098536 0.399990 0.376895 K\n0.598536 0.600010 0.123105 K\n0.404407 0.012447 0.619570 N\n0.904407 0.987553 0.880430 N\n0.595593 0.987553 0.380430 N\n0.095593 0.012447 0.119570 N\n0.201367 0.144258 0.585632 O\n0.701367 0.855742 0.914368 O\n0.798633 0.855742 0.414368 O\n0.298633 0.144258 0.085632 O\n0.611622 0.141457 0.594929 O\n0.111622 0.858543 0.905071 O\n0.388378 0.858543 0.405071 O\n0.888378 0.141457 0.094929 O\n0.897757 0.256487 0.821952 O\n0.397757 0.743513 0.678048 O\n0.102243 0.743513 0.178048 O\n0.602243 0.256487 0.321952 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.9716607954217764,
"density_atomic": 0.0587202919645806,
"volume": 340.5977615381029,
"volume_molar": 10.25563831261685,
"formula_full": "K4 N4 O12",
"formula_reduced": "KNO3",
"formula_anonymous": "ABC3",
"energy": -125.42886417,
"energy_per_atom": -6.2714432085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.18486417,
"band_gap": 2.8988,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.534000Z",
"spacegroup": 14
}
]
}