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=-structure_string&page=10161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10159",
"results": [
{
"id": "mp-1010071",
"created_at": "2022-09-04T14:41:14.104717Z",
"structure_string": "Cr1 Co1\n1.0\n2.851205 0.000000 0.000000\n0.000000 2.851205 0.000000\n0.000000 0.000000 2.851205\nCr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Co"
],
"chemical_system": "Co-Cr",
"density": 7.947124531735106,
"density_atomic": 0.08628685972248691,
"volume": 23.178500254063447,
"volume_molar": 6.979209556783292,
"formula_full": "Cr1 Co1",
"formula_reduced": "CrCo",
"formula_anonymous": "AB",
"energy": -16.45424306,
"energy_per_atom": -8.22712153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.45424306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9596937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.443000Z",
"spacegroup": 221
},
{
"id": "mp-1079533",
"created_at": "2022-09-04T14:48:11.632490Z",
"structure_string": "Cr1 Cd3 Te4\n1.0\n6.537841 0.000000 0.000000\n0.000000 6.537841 0.000000\n0.000000 0.000000 6.537841\nCr Cd Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.759818 0.759818 0.240182 Te\n0.759818 0.240182 0.759818 Te\n0.240182 0.759818 0.759818 Te\n0.240182 0.240182 0.240182 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"Te"
],
"chemical_system": "Cd-Cr-Te",
"density": 5.345760890504391,
"density_atomic": 0.028627730750857727,
"volume": 279.44932379106956,
"volume_molar": 21.036039539457974,
"formula_full": "Cr1 Cd3 Te4",
"formula_reduced": "CrCd3Te4",
"formula_anonymous": "AB3C4",
"energy": -27.42550315,
"energy_per_atom": -3.42818789375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.73750315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.518000Z",
"spacegroup": 215
},
{
"id": "mp-1018083",
"created_at": "2022-09-04T14:46:18.057287Z",
"structure_string": "Cr1 Cd1 Te2\n1.0\n4.523310 0.000000 0.000000\n0.000000 4.523310 0.000000\n0.000000 0.000000 6.506696\nCr Cd Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.770484 Te\n0.500000 0.000000 0.229516 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"Te"
],
"chemical_system": "Cd-Cr-Te",
"density": 5.2338190520093,
"density_atomic": 0.03004600737638805,
"volume": 133.1291692068025,
"volume_molar": 20.04306490563055,
"formula_full": "Cr1 Cd1 Te2",
"formula_reduced": "CrCdTe2",
"formula_anonymous": "ABC2",
"energy": -18.24001722,
"energy_per_atom": -4.560004305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.39601722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.875000Z",
"spacegroup": 115
},
{
"id": "mp-559161",
"created_at": "2022-09-04T14:47:17.076525Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n5.017414 -2.652959 0.000000\n5.017414 2.652959 0.000000\n3.614660 0.000000 4.375713\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.090828 0.353258 0.782276 F\n0.782276 0.090828 0.353258 F\n0.646742 0.217724 0.909172 F\n0.217724 0.909172 0.646742 F\n0.909172 0.646742 0.217724 F\n0.353258 0.782276 0.090828 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"F"
],
"chemical_system": "Cd-Cr-F",
"density": 3.9684887915252496,
"density_atomic": 0.06867531918813524,
"volume": 116.49017572214106,
"volume_molar": 8.769002941948353,
"formula_full": "Cr1 Cd1 F6",
"formula_reduced": "CrCdF6",
"formula_anonymous": "ABC6",
"energy": -42.96216603,
"energy_per_atom": -5.37027075375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.19116603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000145,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.301000Z",
"spacegroup": 148
},
{
"id": "mp-1181713",
"created_at": "2022-09-04T14:43:08.950215Z",
"structure_string": "Cr1 Cd1 Cu3 Se4\n1.0\n5.848139 0.000000 0.000000\n0.000000 5.848139 0.000000\n0.000000 0.000000 5.848139\nCr Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236516 0.236516 0.236516 Se\n0.763484 0.763484 0.236516 Se\n0.236516 0.763484 0.763484 Se\n0.763484 0.236516 0.763484 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Cd",
"Cu",
"Se"
],
"chemical_system": "Cd-Cr-Cu-Se",
"density": 5.569858785876935,
"density_atomic": 0.04499761027651181,
"volume": 200.0106215573383,
"volume_molar": 13.383245739037575,
"formula_full": "Cr1 Cd1 Cu3 Se4",
"formula_reduced": "CrCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -40.73669856,
"energy_per_atom": -4.52629984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.84869856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9994604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.167000Z",
"spacegroup": 215
},
{
"id": "mp-1247236",
"created_at": "2022-09-04T14:47:34.705586Z",
"structure_string": "Cr1 C8 N6\n1.0\n0.001880 -0.003255 5.653683\n6.344594 3.663054 0.000000\n-0.001714 7.329075 -0.003608\nCr C N\n1 8 6\ndirect\n0.980656 0.999972 0.000058 Cr\n0.228936 0.333268 0.333463 C\n0.204245 0.223521 0.552958 C\n0.204174 0.552751 0.223666 C\n0.204174 0.223584 0.223666 C\n0.728831 0.666777 0.666446 C\n0.755357 0.776526 0.776417 C\n0.755301 0.776558 0.446884 C\n0.755357 0.447057 0.776417 C\n0.168101 0.132466 0.735068 N\n0.168065 0.735203 0.132414 N\n0.168065 0.132383 0.132414 N\n0.793206 0.867710 0.867673 N\n0.793178 0.867608 0.264782 N\n0.793206 0.264616 0.867673 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 1.4659605632732935,
"density_atomic": 0.05704903886939258,
"volume": 262.93168644507455,
"volume_molar": 10.556077506909485,
"formula_full": "Cr1 C8 N6",
"formula_reduced": "Cr(C4N3)2",
"formula_anonymous": "AB6C8",
"energy": -130.27121737,
"energy_per_atom": -8.684747824666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.10521737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.322000Z",
"spacegroup": 164
},
{
"id": "mp-1018050",
"created_at": "2022-09-04T14:48:17.282024Z",
"structure_string": "Cr1 C1\n1.0\n1.353478 -2.344292 0.000000\n1.353478 2.344292 0.000000\n0.000000 0.000000 2.621571\nCr C\n1 1\ndirect\n0.666667 0.333333 0.000000 Cr\n0.000000 0.000000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"C"
],
"chemical_system": "C-Cr",
"density": 6.388820500944768,
"density_atomic": 0.12021965278801326,
"volume": 16.63621507480692,
"volume_molar": 5.009281444706061,
"formula_full": "Cr1 C1",
"formula_reduced": "CrC",
"formula_anonymous": "AB",
"energy": -18.88773185,
"energy_per_atom": -9.443865925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.88773185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.227000Z",
"spacegroup": 187
},
{
"id": "mp-579",
"created_at": "2022-09-04T14:39:41.237614Z",
"structure_string": "Cr1 C1\n1.0\n0.000000 2.054052 2.054052\n2.054052 0.000000 2.054052\n2.054052 2.054052 0.000000\nCr C\n1 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"C"
],
"chemical_system": "C-Cr",
"density": 6.132123817300513,
"density_atomic": 0.11538934237704095,
"volume": 17.332623263116375,
"volume_molar": 5.218974851526867,
"formula_full": "Cr1 C1",
"formula_reduced": "CrC",
"formula_anonymous": "AB",
"energy": -18.5388043,
"energy_per_atom": -9.26940215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.5388043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3963598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.470000Z",
"spacegroup": 225
},
{
"id": "mp-567624",
"created_at": "2022-09-04T14:41:28.676792Z",
"structure_string": "Cr1 Br2\n1.0\n1.831055 3.744669 0.000000\n-1.831055 3.744669 0.000000\n0.000000 0.726847 6.465946\nCr Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.354226 0.354226 0.233228 Br\n0.645774 0.645774 0.766772 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"Br"
],
"chemical_system": "Br-Cr",
"density": 3.9664918496390764,
"density_atomic": 0.03383330008744972,
"volume": 88.6700378693722,
"volume_molar": 17.799448308129662,
"formula_full": "Cr1 Br2",
"formula_reduced": "CrBr2",
"formula_anonymous": "AB2",
"energy": -15.94159868,
"energy_per_atom": -5.313866226666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.87359868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.801000Z",
"spacegroup": 12
},
{
"id": "mp-698567",
"created_at": "2022-09-04T14:42:18.051942Z",
"structure_string": "Cr1 Bi14 O24\n1.0\n8.894177 0.000000 0.000000\n-0.097975 8.896870 0.000000\n-4.332277 -4.330158 8.489607\nCr Bi O\n1 14 24\ndirect\n0.008262 0.041060 0.045338 Cr\n0.056177 0.870827 0.335783 Bi\n0.532017 0.945236 0.666795 Bi\n0.662807 0.660968 0.323863 Bi\n0.130619 0.726997 0.671770 Bi\n0.564106 0.784697 0.000859 Bi\n0.278386 0.474506 0.342006 Bi\n0.723238 0.534501 0.667543 Bi\n0.218302 0.559076 0.002083 Bi\n0.870462 0.283649 0.336319 Bi\n0.339674 0.342124 0.675705 Bi\n0.784080 0.438640 0.000201 Bi\n0.472140 0.060505 0.339101 Bi\n0.943851 0.133022 0.668028 Bi\n0.437134 0.214455 0.998876 Bi\n0.895006 0.853239 0.983800 O\n0.669626 0.001538 0.505539 O\n0.458928 0.765753 0.160726 O\n0.762345 0.703586 0.164602 O\n0.997661 0.832336 0.502955 O\n0.379291 0.889671 0.772001 O\n0.115644 0.619061 0.231905 O\n0.501241 0.672116 0.504682 O\n0.396106 0.462011 0.159961 O\n0.693415 0.403614 0.161291 O\n0.171437 0.508896 0.509828 O\n0.827511 0.503069 0.496595 O\n0.304814 0.601979 0.841340 O\n0.596803 0.537417 0.836370 O\n0.878433 0.173643 0.019008 O\n0.503926 0.333994 0.503932 O\n0.882932 0.382878 0.768800 O\n0.621477 0.114523 0.228803 O\n0.133303 0.117986 0.240024 O\n0.997119 0.166657 0.499400 O\n0.235499 0.301592 0.839325 O\n0.536333 0.237534 0.836587 O\n0.333121 0.996858 0.499383 O\n0.124473 0.028487 0.952272 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.30956703261018,
"density_atomic": 0.05805424854658711,
"volume": 671.7854588834003,
"volume_molar": 10.373298958761612,
"formula_full": "Cr1 Bi14 O24",
"formula_reduced": "Cr(Bi7O12)2",
"formula_anonymous": "AB14C24",
"energy": -248.0883181,
"energy_per_atom": -6.361238925641026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.6013181,
"band_gap": 2.018,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.311000Z",
"spacegroup": 1
},
{
"id": "mp-759588",
"created_at": "2022-09-04T14:42:13.192367Z",
"structure_string": "Cr1 Bi14 O24\n1.0\n-0.043493 8.754922 0.000000\n8.782480 -0.043640 0.000000\n4.369494 4.355641 -8.629655\nCr Bi O\n1 14 24\ndirect\n0.994170 0.994170 0.011660 Cr\n0.443151 0.216275 0.999395 Bi\n0.938920 0.125028 0.336209 Bi\n0.462969 0.060549 0.661944 Bi\n0.792002 0.435408 0.003628 Bi\n0.340022 0.340022 0.319955 Bi\n0.204369 0.560963 0.003628 Bi\n0.875086 0.277507 0.661944 Bi\n0.724871 0.538763 0.336209 Bi\n0.557453 0.784329 0.999395 Bi\n0.277308 0.464205 0.663271 Bi\n0.124454 0.721366 0.337714 Bi\n0.658841 0.658841 0.682319 Bi\n0.537833 0.940920 0.337714 Bi\n0.059421 0.872523 0.663271 Bi\n0.904217 0.162166 0.042343 O\n0.334214 0.007921 0.493318 O\n0.543350 0.238879 0.157980 O\n0.235339 0.294140 0.159880 O\n0.006169 0.173522 0.493569 O\n0.095020 0.095020 0.809962 O\n0.617950 0.117950 0.764100 O\n0.881477 0.381477 0.237046 O\n0.500262 0.332910 0.493569 O\n0.604780 0.545980 0.159880 O\n0.298669 0.603141 0.157980 O\n0.827889 0.499502 0.507804 O\n0.172468 0.498761 0.493318 O\n0.703020 0.393966 0.843740 O\n0.053440 0.795491 0.042343 O\n0.396948 0.454336 0.840398 O\n0.500286 0.667178 0.505989 O\n0.382379 0.882379 0.235241 O\n0.118562 0.618562 0.762874 O\n0.883111 0.883111 0.233779 O\n0.993726 0.826833 0.505989 O\n0.762655 0.705266 0.840398 O\n0.453240 0.762295 0.843740 O\n0.664306 0.992694 0.507804 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.413115111003968,
"density_atomic": 0.05877768044815348,
"volume": 663.5171667653857,
"volume_molar": 10.245625063942425,
"formula_full": "Cr1 Bi14 O24",
"formula_reduced": "Cr(Bi7O12)2",
"formula_anonymous": "AB14C24",
"energy": -244.59603036,
"energy_per_atom": -6.271693086153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.10903036,
"band_gap": 0.1960000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0004578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.286000Z",
"spacegroup": 5
},
{
"id": "mp-666728",
"created_at": "2022-09-04T14:42:48.152084Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.475192 0.000000 0.000000\n-2.168126 5.470298 0.000000\n-0.384804 -2.806959 8.531095\nCr B H\n1 6 16\ndirect\n0.500000 0.000000 0.500000 Cr\n0.007767 0.307182 0.304715 B\n0.992233 0.692818 0.695285 B\n0.978586 0.203331 0.132296 B\n0.953090 0.995500 0.312877 B\n0.021414 0.796669 0.867704 B\n0.046910 0.004500 0.687123 B\n0.232148 0.284612 0.023977 H\n0.741621 0.566670 0.668734 H\n0.176634 0.942361 0.341950 H\n0.759083 0.332574 0.382866 H\n0.059211 0.056369 0.814407 H\n0.823366 0.057639 0.658050 H\n0.240917 0.667426 0.617134 H\n0.030521 0.436520 0.171382 H\n0.282165 0.840723 0.897505 H\n0.767852 0.715388 0.976023 H\n0.717835 0.159277 0.102495 H\n0.674157 0.815083 0.399200 H\n0.325843 0.184917 0.600800 H\n0.940789 0.943631 0.185593 H\n0.969479 0.563480 0.828618 H\n0.258379 0.433330 0.331266 H\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cr",
"B",
"H"
],
"chemical_system": "B-Cr-H",
"density": 1.0573964270710998,
"density_atomic": 0.11012867131730279,
"volume": 208.8466130108152,
"volume_molar": 5.468276960001638,
"formula_full": "Cr1 B6 H16",
"formula_reduced": "Cr(B3H8)2",
"formula_anonymous": "AB6C16",
"energy": -89.49317471,
"energy_per_atom": -3.891007596086957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.62917471,
"band_gap": 0.2666,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6551318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.038000Z",
"spacegroup": 2
}
]
}