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=-total_magnetization&page=10125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10123",
"results": [
{
"id": "mp-556325",
"created_at": "2022-09-04T14:39:48.803823Z",
"structure_string": "Te4 As4 Cl12 F24\n1.0\n10.245787 0.000000 0.000000\n0.000000 9.050432 0.000000\n0.000000 5.644660 10.302602\nTe As Cl F\n4 4 12 24\ndirect\n0.858984 0.744160 0.319352 Te\n0.141016 0.255840 0.680648 Te\n0.358984 0.255840 0.180648 Te\n0.641016 0.744160 0.819352 Te\n0.791477 0.386008 0.723666 As\n0.208523 0.613992 0.276334 As\n0.291477 0.613992 0.776334 As\n0.708523 0.386008 0.223666 As\n0.848820 0.973988 0.113787 Cl\n0.651180 0.973988 0.613787 Cl\n0.859792 0.742996 0.864903 Cl\n0.427897 0.106200 0.077684 Cl\n0.927897 0.893800 0.422316 Cl\n0.359792 0.257004 0.635097 Cl\n0.072103 0.106200 0.577684 Cl\n0.140208 0.257004 0.135097 Cl\n0.348820 0.026012 0.386213 Cl\n0.640208 0.742996 0.364903 Cl\n0.151180 0.026012 0.886213 Cl\n0.572103 0.893800 0.922316 Cl\n0.768642 0.591745 0.185656 F\n0.231358 0.408255 0.814344 F\n0.563168 0.428157 0.284165 F\n0.152634 0.651959 0.844761 F\n0.781625 0.298268 0.377435 F\n0.138359 0.810300 0.245579 F\n0.268642 0.408255 0.314344 F\n0.731358 0.591745 0.685656 F\n0.063168 0.571843 0.215835 F\n0.368957 0.518979 0.935411 F\n0.631043 0.481021 0.064589 F\n0.281625 0.701732 0.122565 F\n0.936832 0.428157 0.784165 F\n0.436832 0.571843 0.715835 F\n0.361641 0.810300 0.745579 F\n0.638359 0.189700 0.254421 F\n0.847366 0.348041 0.155239 F\n0.347366 0.651959 0.344761 F\n0.652634 0.348041 0.655239 F\n0.718375 0.298268 0.877435 F\n0.131043 0.518979 0.435411 F\n0.218375 0.701732 0.622565 F\n0.861641 0.189700 0.754421 F\n0.868957 0.481021 0.564589 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Te",
"As",
"Cl",
"F"
],
"chemical_system": "As-Cl-F-Te",
"density": 2.940055004874847,
"density_atomic": 0.0460565201020973,
"volume": 955.3479051926103,
"volume_molar": 13.075544454184167,
"formula_full": "Te4 As4 Cl12 F24",
"formula_reduced": "TeAs(ClF2)3",
"formula_anonymous": "ABC3D6",
"energy": -187.3823973,
"energy_per_atom": -4.258690847727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.9263973,
"band_gap": 3.9007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.544000Z",
"spacegroup": 14
},
{
"id": "mp-1189925",
"created_at": "2022-09-04T14:39:30.193071Z",
"structure_string": "Ho4 B8 Os4\n1.0\n5.317054 0.000000 0.000000\n0.000000 5.895380 0.000000\n0.000000 0.000000 6.362782\nHo B Os\n4 8 4\ndirect\n0.250000 0.010310 0.335017 Ho\n0.250000 0.510310 0.164983 Ho\n0.750000 0.989690 0.664983 Ho\n0.750000 0.489690 0.835017 Ho\n0.082477 0.362360 0.538307 B\n0.417523 0.862360 0.961693 B\n0.582477 0.637640 0.461693 B\n0.917523 0.137640 0.038307 B\n0.917523 0.637640 0.461693 B\n0.582477 0.137640 0.038307 B\n0.417523 0.362360 0.538307 B\n0.082477 0.862360 0.961693 B\n0.250000 0.176258 0.819126 Os\n0.250000 0.676258 0.680874 Os\n0.750000 0.823742 0.180874 Os\n0.750000 0.323742 0.319126 Os\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"B",
"Os"
],
"chemical_system": "B-Ho-Os",
"density": 12.547860624223452,
"density_atomic": 0.08022136807485948,
"volume": 199.4481069566081,
"volume_molar": 7.506903590051432,
"formula_full": "Ho4 B8 Os4",
"formula_reduced": "HoB2Os",
"formula_anonymous": "ABC2",
"energy": -126.12999135,
"energy_per_atom": -7.883124459375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.12999135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.755000Z",
"spacegroup": 62
},
{
"id": "mp-1228838",
"created_at": "2022-09-04T14:47:00.922574Z",
"structure_string": "As4 Se2\n1.0\n-3.529418 3.529418 2.653571\n3.529418 -3.529418 2.653571\n3.529418 3.529418 -2.653571\nAs Se\n4 2\ndirect\n0.125000 0.875000 0.250000 As\n0.625000 0.875000 0.750000 As\n0.125000 0.375000 0.250000 As\n0.125000 0.875000 0.750000 As\n0.750000 0.250000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"Se"
],
"chemical_system": "As-Se",
"density": 5.7470409429292495,
"density_atomic": 0.04537894075401484,
"volume": 132.21992184709947,
"volume_molar": 13.270783010657205,
"formula_full": "As4 Se2",
"formula_reduced": "As2Se",
"formula_anonymous": "AB2",
"energy": -26.1568251,
"energy_per_atom": -4.35947085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.2128251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.191000Z",
"spacegroup": 141
},
{
"id": "mp-1147754",
"created_at": "2022-09-04T14:47:07.659587Z",
"structure_string": "K3 Cu2 H7\n1.0\n-1.887847 1.887847 10.089423\n1.887847 -1.887847 10.089423\n1.887847 1.887847 -10.089423\nK Cu H\n3 2 7\ndirect\n0.318413 0.318413 0.000000 K\n0.681587 0.681587 0.000000 K\n0.500000 0.500000 0.000000 K\n0.091516 0.091516 0.000000 Cu\n0.908484 0.908484 0.000000 Cu\n0.909964 0.409964 0.500000 H\n0.409964 0.909964 0.500000 H\n0.090036 0.590036 0.500000 H\n0.590036 0.090036 0.500000 H\n0.000000 0.000000 0.000000 H\n0.175859 0.175859 0.000000 H\n0.824141 0.824141 0.000000 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Cu",
"H"
],
"chemical_system": "Cu-H-K",
"density": 2.9028716845109432,
"density_atomic": 0.08342982569238631,
"volume": 143.83345404849746,
"volume_molar": 7.21821088564203,
"formula_full": "K3 Cu2 H7",
"formula_reduced": "K3Cu2H7",
"formula_anonymous": "A2B3C7",
"energy": -36.29617533,
"energy_per_atom": -3.0246812774999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.04317533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.565000Z",
"spacegroup": 139
},
{
"id": "mp-865496",
"created_at": "2022-09-04T14:48:29.321093Z",
"structure_string": "V2 Ir6\n1.0\n2.732930 -4.733574 0.000000\n2.732930 4.733574 0.000000\n0.000000 0.000000 4.357791\nV Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.167503 0.335006 0.250000 Ir\n0.664994 0.832497 0.250000 Ir\n0.167503 0.832497 0.250000 Ir\n0.832497 0.664994 0.750000 Ir\n0.335006 0.167503 0.750000 Ir\n0.832497 0.167503 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 18.485992220668546,
"density_atomic": 0.07095384172347667,
"volume": 112.74935656307134,
"volume_molar": 8.48740619777807,
"formula_full": "V2 Ir6",
"formula_reduced": "VIr3",
"formula_anonymous": "AB3",
"energy": -75.34714804,
"energy_per_atom": -9.418393505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.34714804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.690000Z",
"spacegroup": 194
},
{
"id": "mp-1184774",
"created_at": "2022-09-04T14:48:10.710924Z",
"structure_string": "Ir2 N2\n1.0\n1.433454 -2.482814 0.000000\n1.433454 2.482814 0.000000\n0.000000 0.000000 6.562251\nIr N\n2 2\ndirect\n0.666667 0.333333 0.527748 Ir\n0.333333 0.666667 0.027748 Ir\n0.666667 0.333333 0.847253 N\n0.333333 0.666667 0.347253 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 14.662461603496181,
"density_atomic": 0.08563458777518171,
"volume": 46.71009814984203,
"volume_molar": 7.032369649294108,
"formula_full": "Ir2 N2",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -32.01282547,
"energy_per_atom": -8.0032063675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.29082547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.021000Z",
"spacegroup": 186
},
{
"id": "mp-13396",
"created_at": "2022-09-04T14:48:13.047239Z",
"structure_string": "Li1 In2 Rh1\n1.0\n0.000000 3.267368 3.267368\n3.267368 0.000000 3.267368\n3.267368 3.267368 0.000000\nLi In Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Rh"
],
"chemical_system": "In-Li-Rh",
"density": 8.08057637686047,
"density_atomic": 0.05733711561591685,
"volume": 69.76283960279291,
"volume_molar": 10.503040997633034,
"formula_full": "Li1 In2 Rh1",
"formula_reduced": "LiIn2Rh",
"formula_anonymous": "ABC2",
"energy": -16.42389665,
"energy_per_atom": -4.1059741625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.42389665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.601000Z",
"spacegroup": 225
},
{
"id": "mp-1215179",
"created_at": "2022-09-04T14:44:04.035140Z",
"structure_string": "Zr1 Ti1 Cr4\n1.0\n0.000000 3.507766 3.507766\n3.507766 0.000000 3.507766\n3.507766 3.507766 0.000000\nZr Ti Cr\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624823 0.624823 0.125532 Cr\n0.624823 0.125532 0.624823 Cr\n0.125532 0.624823 0.624823 Cr\n0.624823 0.624823 0.624823 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Cr"
],
"chemical_system": "Cr-Ti-Zr",
"density": 6.676534413738854,
"density_atomic": 0.06950713886794767,
"volume": 86.32206846262267,
"volume_molar": 8.664060782937842,
"formula_full": "Zr1 Ti1 Cr4",
"formula_reduced": "ZrTiCr4",
"formula_anonymous": "ABC4",
"energy": -55.38911734,
"energy_per_atom": -9.231519556666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.38911734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.247000Z",
"spacegroup": 216
},
{
"id": "mp-570363",
"created_at": "2022-09-04T14:41:56.759158Z",
"structure_string": "Li8 Si8\n1.0\n-5.091108 5.091108 3.769841\n5.091108 -5.091108 3.769841\n5.091108 5.091108 -3.769841\nLi Si\n8 8\ndirect\n0.665988 0.938823 0.102895 Li\n0.835928 0.563093 0.897105 Li\n0.061177 0.164072 0.727165 Li\n0.584012 0.811177 0.397105 Li\n0.414072 0.186907 0.602895 Li\n0.813093 0.415988 0.227165 Li\n0.188823 0.585928 0.772835 Li\n0.436907 0.334012 0.272835 Li\n0.430985 0.273688 0.938260 Si\n0.523688 0.085428 0.342703 Si\n0.819015 0.476312 0.561740 Si\n0.335428 0.492725 0.061740 Si\n0.742725 0.180985 0.657297 Si\n0.726312 0.664572 0.157297 Si\n0.507275 0.569015 0.842703 Si\n0.914572 0.257275 0.438260 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 1.1904966634297736,
"density_atomic": 0.04093665358492577,
"volume": 390.84777574226854,
"volume_molar": 14.71087700783034,
"formula_full": "Li8 Si8",
"formula_reduced": "LiSi",
"formula_anonymous": "AB",
"energy": -57.97692071,
"energy_per_atom": -3.623557544375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.54492071,
"band_gap": 1.3839,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.146000Z",
"spacegroup": 88
},
{
"id": "mp-1192123",
"created_at": "2022-09-04T14:45:58.264211Z",
"structure_string": "Ca2 As4 O16\n1.0\n0.275548 -0.096280 6.445716\n3.047302 -6.523411 0.646197\n7.802260 -0.350458 3.594525\nCa As O\n2 4 16\ndirect\n0.769494 0.165677 0.916420 Ca\n0.230506 0.834323 0.083580 Ca\n0.395025 0.251257 0.575717 As\n0.604975 0.748743 0.424283 As\n0.828343 0.732031 0.794979 As\n0.171657 0.267969 0.205021 As\n0.181713 0.090247 0.802469 O\n0.818287 0.909753 0.197531 O\n0.244547 0.492124 0.543664 O\n0.755453 0.507876 0.456336 O\n0.518463 0.223325 0.374085 O\n0.481537 0.776675 0.625915 O\n0.600775 0.327659 0.639138 O\n0.399225 0.672341 0.360862 O\n0.982862 0.597661 0.984884 O\n0.017138 0.402339 0.015116 O\n0.647725 0.876476 0.901509 O\n0.352275 0.123524 0.098491 O\n0.730472 0.506991 0.832032 O\n0.269528 0.493009 0.167968 O\n0.075421 0.874344 0.587068 O\n0.924579 0.125656 0.412932 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 3.3480366045074756,
"density_atomic": 0.06976231009107602,
"volume": 315.35652949678104,
"volume_molar": 8.632370046430488,
"formula_full": "Ca2 As4 O16",
"formula_reduced": "Ca(AsO4)2",
"formula_anonymous": "AB2C8",
"energy": -127.82392142,
"energy_per_atom": -5.810178246363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.24792142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.057000Z",
"spacegroup": 2
},
{
"id": "mp-1211816",
"created_at": "2022-09-04T14:46:09.931476Z",
"structure_string": "K4 In4 P8 Se24\n1.0\n6.618884 0.000000 0.000000\n0.000000 7.747936 0.000000\n0.000000 4.403151 22.977535\nK In P Se\n4 4 8 24\ndirect\n0.512744 0.673576 0.281384 K\n0.487256 0.326424 0.718616 K\n0.012744 0.326424 0.218616 K\n0.987256 0.673576 0.781384 K\n0.251282 0.908676 0.046115 In\n0.748718 0.091324 0.953885 In\n0.751282 0.091324 0.453885 In\n0.248718 0.908676 0.546115 In\n0.756093 0.904543 0.132450 P\n0.243907 0.095457 0.867550 P\n0.256093 0.095457 0.367550 P\n0.743907 0.904543 0.632450 P\n0.748055 0.658942 0.091664 P\n0.251945 0.341058 0.908336 P\n0.248055 0.341058 0.408336 P\n0.751945 0.658942 0.591664 P\n0.568264 0.413001 0.420074 Se\n0.431736 0.586999 0.579926 Se\n0.068264 0.586999 0.079926 Se\n0.931736 0.413001 0.920074 Se\n0.415459 0.887957 0.433077 Se\n0.584541 0.112043 0.566923 Se\n0.915459 0.112043 0.066923 Se\n0.084541 0.887957 0.933077 Se\n0.588333 0.748176 0.005103 Se\n0.411667 0.251824 0.994897 Se\n0.088333 0.251824 0.494897 Se\n0.911667 0.748176 0.505103 Se\n0.927233 0.856855 0.212626 Se\n0.072767 0.143145 0.787374 Se\n0.427233 0.143145 0.287374 Se\n0.572767 0.856855 0.712626 Se\n0.433619 0.965126 0.146822 Se\n0.566381 0.034874 0.853178 Se\n0.933619 0.034874 0.353178 Se\n0.066381 0.965126 0.646822 Se\n0.582304 0.453763 0.146876 Se\n0.417696 0.546237 0.853124 Se\n0.082304 0.546237 0.353124 Se\n0.917696 0.453763 0.646876 Se\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"In",
"P",
"Se"
],
"chemical_system": "In-K-P-Se",
"density": 3.8872915501764256,
"density_atomic": 0.033945777514801996,
"volume": 1178.3497957163618,
"volume_molar": 17.74047083580294,
"formula_full": "K4 In4 P8 Se24",
"formula_reduced": "KIn(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -170.99137703,
"energy_per_atom": -4.27478442575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.66337703,
"band_gap": 1.3512,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.146000Z",
"spacegroup": 14
},
{
"id": "mp-1225615",
"created_at": "2022-09-04T14:40:39.758285Z",
"structure_string": "Er2 In3 Cu1\n1.0\n2.359957 -4.087566 0.000000\n2.359957 4.087566 0.000000\n0.000000 0.000000 7.394236\nEr In Cu\n2 3 1\ndirect\n0.333333 0.666667 0.723985 Er\n0.333333 0.666667 0.263954 Er\n0.666667 0.333333 0.482419 In\n0.666667 0.333333 0.052214 In\n0.000000 0.000000 0.935305 In\n0.000000 0.000000 0.542123 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"In",
"Cu"
],
"chemical_system": "Cu-Er-In",
"density": 8.642988045476182,
"density_atomic": 0.042059013207632924,
"volume": 142.65669929961913,
"volume_molar": 14.31831205898833,
"formula_full": "Er2 In3 Cu1",
"formula_reduced": "Er2In3Cu",
"formula_anonymous": "AB2C3",
"energy": -23.73870375,
"energy_per_atom": -3.956450625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.73870375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.869000Z",
"spacegroup": 156
}
]
}