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=-chemical_system&page=11516",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11514",
"results": [
{
"id": "mp-16947",
"created_at": "2022-09-04T14:48:28.862476Z",
"structure_string": "Li6 Al6 Ge6 O24\n1.0\n5.085867 -6.978181 0.000000\n5.085867 6.978181 0.000000\n-4.488709 0.000000 7.376486\nLi Al Ge O\n6 6 6 24\ndirect\n0.239583 0.468488 0.071280 Li\n0.468488 0.071280 0.239583 Li\n0.071280 0.239583 0.468488 Li\n0.760417 0.531512 0.928720 Li\n0.531512 0.928720 0.760417 Li\n0.928720 0.760417 0.531512 Li\n0.568110 0.789093 0.384404 Al\n0.384404 0.568110 0.789093 Al\n0.431890 0.210907 0.615596 Al\n0.210907 0.615596 0.431890 Al\n0.615596 0.431890 0.210907 Al\n0.789093 0.384404 0.568110 Al\n0.133221 0.720456 0.893525 Ge\n0.720456 0.893525 0.133221 Ge\n0.106475 0.866779 0.279544 Ge\n0.866779 0.279544 0.106475 Ge\n0.279544 0.106475 0.866779 Ge\n0.893525 0.133221 0.720456 Ge\n0.344840 0.684911 0.659679 O\n0.379287 0.322780 0.048145 O\n0.048145 0.379287 0.322780 O\n0.322780 0.048145 0.379287 O\n0.620713 0.677220 0.951855 O\n0.951855 0.620713 0.677220 O\n0.677220 0.951855 0.620713 O\n0.684911 0.659679 0.344840 O\n0.739792 0.401081 0.079106 O\n0.659679 0.344840 0.684911 O\n0.315089 0.340321 0.655160 O\n0.655160 0.315089 0.340321 O\n0.260208 0.598919 0.920894 O\n0.598919 0.920894 0.260208 O\n0.920894 0.260208 0.598919 O\n0.973124 0.279729 0.955049 O\n0.401081 0.079106 0.739792 O\n0.079106 0.739792 0.401081 O\n0.044951 0.026876 0.720271 O\n0.279729 0.955049 0.973124 O\n0.955049 0.973124 0.279729 O\n0.026876 0.720271 0.044951 O\n0.720271 0.044951 0.026876 O\n0.340321 0.655160 0.315089 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-Li-O",
"density": 3.245571201696215,
"density_atomic": 0.08021628472679943,
"volume": 523.584458480514,
"volume_molar": 7.507379306471502,
"formula_full": "Li6 Al6 Ge6 O24",
"formula_reduced": "LiAlGeO4",
"formula_anonymous": "ABCD4",
"energy": -293.28567931,
"energy_per_atom": -6.982992364523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.79767931,
"band_gap": 3.3281000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004672,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:45.178000Z",
"spacegroup": 148
},
{
"id": "mp-1020030",
"created_at": "2022-09-04T14:47:58.195790Z",
"structure_string": "Li4 Al4 Ge8 O24\n1.0\n8.490451 0.000000 0.000000\n0.000000 5.458848 0.000000\n0.000000 1.854311 9.415440\nLi Al Ge O\n4 4 8 24\ndirect\n0.217098 0.295162 0.007960 Li\n0.282902 0.295162 0.507960 Li\n0.782902 0.704838 0.992040 Li\n0.717098 0.704838 0.492040 Li\n0.413422 0.750343 0.995449 Al\n0.086578 0.750343 0.495449 Al\n0.586578 0.249657 0.004551 Al\n0.913422 0.249657 0.504551 Al\n0.915559 0.431120 0.790572 Ge\n0.584441 0.431120 0.290572 Ge\n0.084441 0.568880 0.209428 Ge\n0.415559 0.568880 0.709428 Ge\n0.112926 0.945968 0.779336 Ge\n0.387074 0.945968 0.279336 Ge\n0.887074 0.054032 0.220664 Ge\n0.612926 0.054032 0.720664 Ge\n0.927309 0.543230 0.602804 O\n0.572691 0.543230 0.102804 O\n0.072691 0.456770 0.397196 O\n0.427309 0.456770 0.897196 O\n0.989269 0.698500 0.859283 O\n0.510731 0.698500 0.359283 O\n0.010731 0.301500 0.140717 O\n0.489269 0.301500 0.640717 O\n0.742889 0.410908 0.889243 O\n0.757111 0.410908 0.389243 O\n0.257111 0.589092 0.110757 O\n0.242889 0.589092 0.610757 O\n0.067593 0.209325 0.856871 O\n0.432407 0.209325 0.356871 O\n0.932407 0.790675 0.143129 O\n0.567593 0.790675 0.643129 O\n0.098159 0.035570 0.590139 O\n0.401841 0.035570 0.090139 O\n0.901841 0.964430 0.409861 O\n0.598159 0.964430 0.909861 O\n0.310402 0.882285 0.825628 O\n0.189598 0.882285 0.325628 O\n0.689598 0.117715 0.174372 O\n0.810402 0.117715 0.674372 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-Li-O",
"density": 4.188740555092741,
"density_atomic": 0.09166163709399677,
"volume": 436.3875801059605,
"volume_molar": 6.569968583284675,
"formula_full": "Li4 Al4 Ge8 O24",
"formula_reduced": "LiAl(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -278.52302796,
"energy_per_atom": -6.963075698999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.03502796,
"band_gap": 3.383,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017549,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.358000Z",
"spacegroup": 14
},
{
"id": "mp-1207174",
"created_at": "2022-09-04T14:42:14.657838Z",
"structure_string": "Li1 Al2 Ge1\n1.0\n0.000000 3.261232 3.261232\n3.261232 0.000000 3.261232\n3.261232 3.261232 0.000000\nLi Al Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.1966762027458433,
"density_atomic": 0.05766136385037807,
"volume": 69.37054091157736,
"volume_molar": 10.44397904917144,
"formula_full": "Li1 Al2 Ge1",
"formula_reduced": "LiAl2Ge",
"formula_anonymous": "ABC2",
"energy": -13.72293172,
"energy_per_atom": -3.43073293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.72293172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.640000Z",
"spacegroup": 225
},
{
"id": "mp-5920",
"created_at": "2022-09-04T14:42:01.472269Z",
"structure_string": "Li1 Al1 Ge1\n1.0\n0.000000 3.009527 3.009527\n3.009527 0.000000 3.009527\n3.009527 3.009527 0.000000\nLi Al Ge\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.2458536020659188,
"density_atomic": 0.05502962168944333,
"volume": 54.51609347653408,
"volume_molar": 10.943452953366867,
"formula_full": "Li1 Al1 Ge1",
"formula_reduced": "LiAlGe",
"formula_anonymous": "ABC",
"energy": -11.15155156,
"energy_per_atom": -3.7171838533333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.15155156,
"band_gap": 0.0526999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009933,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.828000Z",
"spacegroup": 216
},
{
"id": "mp-961645",
"created_at": "2022-09-04T14:39:13.016244Z",
"structure_string": "Li1 Al1 Ge1\n1.0\n0.000000 2.940928 2.940928\n2.940928 0.000000 2.940928\n2.940928 2.940928 0.000000\nLi Al Ge\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.4783276025872696,
"density_atomic": 0.058970944333563494,
"volume": 50.87251075768412,
"volume_molar": 10.212047353246268,
"formula_full": "Li1 Al1 Ge1",
"formula_reduced": "LiAlGe",
"formula_anonymous": "ABC",
"energy": -10.13038857,
"energy_per_atom": -3.37679619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.13038857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.412000Z",
"spacegroup": 216
},
{
"id": "mp-1211910",
"created_at": "2022-09-04T14:42:27.344109Z",
"structure_string": "La4 Al4 Ge8 O28\n1.0\n6.630004 0.000000 0.000000\n0.000000 7.377669 0.000000\n0.000000 5.999814 11.531515\nLa Al Ge O\n4 4 8 28\ndirect\n0.352070 0.738704 0.525606 La\n0.647930 0.261296 0.474394 La\n0.852070 0.261296 0.974394 La\n0.147930 0.738704 0.025606 La\n0.397664 0.713482 0.269693 Al\n0.602336 0.286518 0.730307 Al\n0.897664 0.286518 0.230307 Al\n0.102336 0.713482 0.769693 Al\n0.657321 0.708710 0.049599 Ge\n0.342679 0.291290 0.950401 Ge\n0.157321 0.291290 0.450401 Ge\n0.842679 0.708710 0.549599 Ge\n0.909735 0.803293 0.280805 Ge\n0.090265 0.196707 0.719195 Ge\n0.409735 0.196707 0.219195 Ge\n0.590265 0.803293 0.780805 Ge\n0.375406 0.928723 0.299869 O\n0.624594 0.071277 0.700131 O\n0.875406 0.071277 0.200131 O\n0.124594 0.928723 0.799869 O\n0.822095 0.906745 0.023361 O\n0.177905 0.093255 0.976639 O\n0.322095 0.093255 0.476639 O\n0.677905 0.906745 0.523361 O\n0.615111 0.274508 0.276506 O\n0.384889 0.725492 0.723494 O\n0.115111 0.725492 0.223494 O\n0.884889 0.274508 0.776506 O\n0.996065 0.746649 0.427180 O\n0.003935 0.253351 0.572820 O\n0.496065 0.253351 0.072820 O\n0.503935 0.746649 0.927180 O\n0.450459 0.703370 0.136042 O\n0.549541 0.296630 0.863958 O\n0.950459 0.296630 0.363958 O\n0.049541 0.703370 0.636042 O\n0.837221 0.504084 0.087344 O\n0.162779 0.495916 0.912656 O\n0.337221 0.495916 0.412656 O\n0.662779 0.504084 0.587344 O\n0.681438 0.662605 0.312145 O\n0.318562 0.337395 0.687855 O\n0.181438 0.337395 0.187855 O\n0.818562 0.662605 0.812145 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"La",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-La-O",
"density": 4.983073056830924,
"density_atomic": 0.07800695959736254,
"volume": 564.05223619929,
"volume_molar": 7.720004459965663,
"formula_full": "La4 Al4 Ge8 O28",
"formula_reduced": "LaAlGe2O7",
"formula_anonymous": "ABC2D7",
"energy": -336.94690123,
"energy_per_atom": -7.6578841188636355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.71090123,
"band_gap": 3.5206000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.248000Z",
"spacegroup": 14
},
{
"id": "mp-11511",
"created_at": "2022-09-04T14:47:01.397020Z",
"structure_string": "La2 Al2 Ge2\n1.0\n-2.185380 2.185380 7.424453\n2.185380 -2.185380 7.424453\n2.185380 2.185380 -7.424453\nLa Al Ge\n2 2 2\ndirect\n0.500554 0.000554 0.500000 La\n0.750554 0.750554 0.000000 La\n0.917194 0.417194 0.500000 Al\n0.167194 0.167194 0.000000 Al\n0.083952 0.583952 0.500000 Ge\n0.333952 0.333952 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 5.585194127520193,
"density_atomic": 0.042303165687890325,
"volume": 141.83335697067125,
"volume_molar": 14.235674002345158,
"formula_full": "La2 Al2 Ge2",
"formula_reduced": "LaAlGe",
"formula_anonymous": "ABC",
"energy": -30.86982003,
"energy_per_atom": -5.144970005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.86982003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.550000Z",
"spacegroup": 109
},
{
"id": "mp-1223252",
"created_at": "2022-09-04T14:41:29.195307Z",
"structure_string": "La2 Al1 Ge1\n1.0\n2.292587 -5.828695 0.000000\n2.292587 5.828695 0.000000\n0.000000 0.000000 4.185540\nLa Al Ge\n2 1 1\ndirect\n0.358872 0.641128 0.000000 La\n0.644524 0.355476 0.500000 La\n0.067053 0.932947 0.000000 Al\n0.929551 0.070449 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 5.602859322925362,
"density_atomic": 0.03575866882251406,
"volume": 111.86098732740173,
"volume_molar": 16.841065280954737,
"formula_full": "La2 Al1 Ge1",
"formula_reduced": "La2AlGe",
"formula_anonymous": "ABC2",
"energy": -20.85982271,
"energy_per_atom": -5.2149556775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.85982271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5262136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.901000Z",
"spacegroup": 38
},
{
"id": "mp-1223244",
"created_at": "2022-09-04T14:45:10.006776Z",
"structure_string": "La2 Al3 Ge1\n1.0\n2.198789 -3.808415 0.000000\n2.198789 3.808415 0.000000\n0.000000 0.000000 8.876100\nLa Al Ge\n2 3 1\ndirect\n0.666667 0.333333 0.249410 La\n0.666667 0.333333 0.750590 La\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 4.818864996420218,
"density_atomic": 0.040361866873791424,
"volume": 148.655165499692,
"volume_molar": 14.920372189004015,
"formula_full": "La2 Al3 Ge1",
"formula_reduced": "La2Al3Ge",
"formula_anonymous": "AB2C3",
"energy": -29.21476819,
"energy_per_atom": -4.8691280316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21476819,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0491297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.795000Z",
"spacegroup": 187
},
{
"id": "mp-10580",
"created_at": "2022-09-04T14:40:57.072104Z",
"structure_string": "La1 Al2 Ge2\n1.0\n2.167957 -3.755012 0.000000\n2.167957 3.755012 0.000000\n0.000000 0.000000 7.006608\nLa Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.361044 Al\n0.333333 0.666667 0.638956 Al\n0.666667 0.333333 0.729755 Ge\n0.333333 0.666667 0.270245 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 4.922172320182248,
"density_atomic": 0.04382987123973207,
"volume": 114.07745125811519,
"volume_molar": 13.739809380368177,
"formula_full": "La1 Al2 Ge2",
"formula_reduced": "La(AlGe)2",
"formula_anonymous": "AB2C2",
"energy": -24.05865022,
"energy_per_atom": -4.811730044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.05865022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0261967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.741000Z",
"spacegroup": 164
},
{
"id": "mp-1079988",
"created_at": "2022-09-04T14:42:12.565832Z",
"structure_string": "La4 Al4 Ge2\n1.0\n2.066976 -13.582385 0.000000\n2.066976 13.582385 0.000000\n0.000000 0.000000 4.595875\nLa Al Ge\n4 4 2\ndirect\n0.203557 0.796443 0.750000 La\n0.796443 0.203557 0.250000 La\n0.575494 0.424506 0.750000 La\n0.424506 0.575494 0.250000 La\n0.881418 0.118582 0.750000 Al\n0.118582 0.881418 0.250000 Al\n0.976401 0.023599 0.750000 Al\n0.023599 0.976401 0.250000 Al\n0.325912 0.674088 0.750000 Ge\n0.674088 0.325912 0.250000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 5.204699006060525,
"density_atomic": 0.03875166129968676,
"volume": 258.0534527968955,
"volume_molar": 15.540342163469203,
"formula_full": "La4 Al4 Ge2",
"formula_reduced": "La2Al2Ge",
"formula_anonymous": "AB2C2",
"energy": -50.35704337,
"energy_per_atom": -5.035704337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.35704337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9454568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.696000Z",
"spacegroup": 63
},
{
"id": "mp-669456",
"created_at": "2022-09-04T14:47:17.567250Z",
"structure_string": "La4 Al6 Ge8\n1.0\n3.074537 -7.644172 0.000000\n3.074537 7.644172 0.000000\n0.000000 0.000000 8.069746\nLa Al Ge\n4 6 8\ndirect\n0.113968 0.886032 0.583044 La\n0.386032 0.613968 0.083044 La\n0.613968 0.386032 0.916956 La\n0.886032 0.113968 0.416956 La\n0.034358 0.465642 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.534358 0.965642 0.750000 Al\n0.500000 0.500000 0.500000 Al\n0.965642 0.534358 0.250000 Al\n0.465642 0.034358 0.250000 Al\n0.701158 0.798842 0.750000 Ge\n0.201158 0.298842 0.750000 Ge\n0.298842 0.201158 0.250000 Ge\n0.686873 0.313127 0.551899 Ge\n0.798842 0.701158 0.250000 Ge\n0.813127 0.186873 0.051899 Ge\n0.186873 0.813127 0.948101 Ge\n0.313127 0.686873 0.448101 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 5.685057549290732,
"density_atomic": 0.04745396109317215,
"volume": 379.3150157614536,
"volume_molar": 12.690491207206067,
"formula_full": "La4 Al6 Ge8",
"formula_reduced": "La2Al3Ge4",
"formula_anonymous": "A2B3C4",
"energy": -88.59701622,
"energy_per_atom": -4.922056456666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.59701622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.094000Z",
"spacegroup": 64
}
]
}