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=-id&page=12092",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12090",
"results": [
{
"id": "mp-1017128",
"created_at": "2022-09-04T14:39:20.126429Z",
"structure_string": "Mg12 Bi2 C2\n1.0\n4.908380 0.000000 0.000000\n0.000000 6.259393 0.000000\n0.000000 0.000000 11.026773\nMg Bi C\n12 2 2\ndirect\n0.500000 0.248505 0.415710 Mg\n0.500000 0.751495 0.415710 Mg\n0.000000 0.770957 0.085629 Mg\n0.000000 0.229043 0.085629 Mg\n0.000000 0.000000 0.323793 Mg\n0.000000 0.500000 0.338558 Mg\n0.500000 0.748505 0.915710 Mg\n0.500000 0.251495 0.915710 Mg\n0.000000 0.270957 0.585629 Mg\n0.000000 0.729043 0.585629 Mg\n0.000000 0.500000 0.823793 Mg\n0.000000 0.000000 0.838558 Mg\n0.500000 0.500000 0.166805 Bi\n0.500000 0.000000 0.666805 Bi\n0.500000 0.000000 0.168162 C\n0.500000 0.500000 0.668162 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"C"
],
"chemical_system": "Bi-C-Mg",
"density": 3.5959576646638722,
"density_atomic": 0.04722817358345058,
"volume": 338.7808332610734,
"volume_molar": 12.751161654301713,
"formula_full": "Mg12 Bi2 C2",
"formula_reduced": "Mg6BiC",
"formula_anonymous": "ABC6",
"energy": -36.56811366,
"energy_per_atom": -2.28550710375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.56811366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.426000Z",
"spacegroup": 38
},
{
"id": "mp-1017120",
"created_at": "2022-09-04T14:46:38.640554Z",
"structure_string": "Hf2 Mg12 C2\n1.0\n4.728022 0.000000 0.000000\n0.000000 5.430662 0.000000\n0.000000 0.000000 12.068604\nHf Mg C\n2 12 2\ndirect\n0.500000 0.500000 0.187567 Hf\n0.500000 0.000000 0.687567 Hf\n0.500000 0.252782 0.447649 Mg\n0.500000 0.747218 0.447649 Mg\n0.000000 0.751673 0.078564 Mg\n0.000000 0.248327 0.078564 Mg\n0.000000 0.000000 0.295340 Mg\n0.000000 0.500000 0.342848 Mg\n0.500000 0.752782 0.947649 Mg\n0.500000 0.247218 0.947649 Mg\n0.000000 0.251673 0.578564 Mg\n0.000000 0.748327 0.578564 Mg\n0.000000 0.500000 0.795340 Mg\n0.000000 0.000000 0.842848 Mg\n0.500000 0.000000 0.121815 C\n0.500000 0.500000 0.621815 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"C"
],
"chemical_system": "C-Hf-Mg",
"density": 3.6045935798013153,
"density_atomic": 0.051633395173636944,
"volume": 309.8769690854903,
"volume_molar": 11.663267038218695,
"formula_full": "Hf2 Mg12 C2",
"formula_reduced": "HfMg6C",
"formula_anonymous": "ABC6",
"energy": -48.88673225,
"energy_per_atom": -3.055420765625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.88673225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.013569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.335000Z",
"spacegroup": 38
},
{
"id": "mp-1017119",
"created_at": "2022-09-04T14:42:08.836357Z",
"structure_string": "Mg12 Sb2 C2\n1.0\n4.888401 0.000000 0.000000\n0.000000 6.194207 0.000000\n0.000000 0.000000 10.765704\nMg Sb C\n12 2 2\ndirect\n0.500000 0.249283 0.416545 Mg\n0.500000 0.750717 0.416545 Mg\n0.000000 0.766087 0.086357 Mg\n0.000000 0.233913 0.086357 Mg\n0.000000 0.000000 0.325099 Mg\n0.000000 0.500000 0.335089 Mg\n0.500000 0.749283 0.916545 Mg\n0.500000 0.250717 0.916545 Mg\n0.000000 0.266087 0.586357 Mg\n0.000000 0.733913 0.586357 Mg\n0.000000 0.500000 0.825099 Mg\n0.000000 0.000000 0.835089 Mg\n0.500000 0.500000 0.167324 Sb\n0.500000 0.000000 0.667324 Sb\n0.500000 0.000000 0.166678 C\n0.500000 0.500000 0.666678 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"C"
],
"chemical_system": "C-Mg-Sb",
"density": 2.8485403371701623,
"density_atomic": 0.049082311673482204,
"volume": 325.9830161716762,
"volume_molar": 12.269472554719938,
"formula_full": "Mg12 Sb2 C2",
"formula_reduced": "Mg6SbC",
"formula_anonymous": "ABC6",
"energy": -37.53157331,
"energy_per_atom": -2.345723331875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.53157331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.564000Z",
"spacegroup": 38
},
{
"id": "mp-1017117",
"created_at": "2022-09-04T14:40:33.374057Z",
"structure_string": "Mg12 Sb2 C2\n1.0\n4.353006 0.000000 0.000000\n0.000000 5.993007 0.000000\n0.000000 0.000000 13.087897\nMg Sb C\n12 2 2\ndirect\n0.000000 0.756000 0.059539 Mg\n0.000000 0.244000 0.059539 Mg\n0.000000 0.000000 0.322855 Mg\n0.500000 0.279108 0.396619 Mg\n0.500000 0.720892 0.396619 Mg\n0.500000 0.000000 0.178881 Mg\n0.000000 0.256000 0.559539 Mg\n0.000000 0.744000 0.559539 Mg\n0.000000 0.500000 0.822855 Mg\n0.500000 0.779108 0.896619 Mg\n0.500000 0.220892 0.896619 Mg\n0.500000 0.500000 0.678881 Mg\n0.500000 0.500000 0.157357 Sb\n0.500000 0.000000 0.657357 Sb\n0.000000 0.500000 0.428591 C\n0.000000 0.000000 0.928591 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"C"
],
"chemical_system": "C-Mg-Sb",
"density": 2.719652575630358,
"density_atomic": 0.04686148678283709,
"volume": 341.4317619529725,
"volume_molar": 12.850938315097581,
"formula_full": "Mg12 Sb2 C2",
"formula_reduced": "Mg6SbC",
"formula_anonymous": "ABC6",
"energy": -40.7056983,
"energy_per_atom": -2.54410614375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.7056983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.731000Z",
"spacegroup": 38
},
{
"id": "mp-1017110",
"created_at": "2022-09-04T14:43:06.548599Z",
"structure_string": "Hf2 Mg12 Ga2\n1.0\n4.999532 0.000000 0.000000\n0.000000 5.998122 0.000000\n0.000000 0.000000 11.321019\nHf Mg Ga\n2 12 2\ndirect\n0.500000 0.000000 0.676638 Hf\n0.500000 0.500000 0.176638 Hf\n0.500000 0.749773 0.924582 Mg\n0.500000 0.250227 0.924582 Mg\n0.000000 0.244997 0.578805 Mg\n0.000000 0.755003 0.578805 Mg\n0.000000 0.500000 0.820238 Mg\n0.000000 0.000000 0.828982 Mg\n0.500000 0.249773 0.424582 Mg\n0.500000 0.750227 0.424582 Mg\n0.000000 0.744997 0.078805 Mg\n0.000000 0.255003 0.078805 Mg\n0.000000 0.000000 0.320238 Mg\n0.000000 0.500000 0.328982 Mg\n0.500000 0.500000 0.667363 Ga\n0.500000 0.000000 0.167363 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ga"
],
"chemical_system": "Ga-Hf-Mg",
"density": 3.8547173919558047,
"density_atomic": 0.047129172668769835,
"volume": 339.4924861603269,
"volume_molar": 12.777947116374003,
"formula_full": "Hf2 Mg12 Ga2",
"formula_reduced": "HfMg6Ga",
"formula_anonymous": "ABC6",
"energy": -44.80954842,
"energy_per_atom": -2.80059677625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.80954842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.221000Z",
"spacegroup": 38
},
{
"id": "mp-1017109",
"created_at": "2022-09-04T14:39:09.677718Z",
"structure_string": "Cs1 Mg6 Nb1\n1.0\n7.183260 0.000000 0.000000\n0.000000 7.183260 0.000000\n0.000000 0.000000 4.150189\nCs Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707029 0.292971 0.000000 Mg\n0.292971 0.707029 0.000000 Mg\n0.707029 0.707029 0.000000 Mg\n0.292971 0.292971 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Nb"
],
"chemical_system": "Cs-Mg-Nb",
"density": 2.8817920728844832,
"density_atomic": 0.03735759760140156,
"volume": 214.146532797919,
"volume_molar": 16.120257047187813,
"formula_full": "Cs1 Mg6 Nb1",
"formula_reduced": "CsMg6Nb",
"formula_anonymous": "ABC6",
"energy": -17.37092621,
"energy_per_atom": -2.17136577625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.37092621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3252172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.032000Z",
"spacegroup": 123
},
{
"id": "mp-1017101",
"created_at": "2022-09-04T14:46:28.314151Z",
"structure_string": "Hf2 Mg12 Ga2\n1.0\n4.903595 0.000000 0.000000\n0.000000 6.388595 0.000000\n0.000000 0.000000 10.953132\nHf Mg Ga\n2 12 2\ndirect\n0.500000 0.500000 0.175809 Hf\n0.500000 0.000000 0.675809 Hf\n0.000000 0.250808 0.083740 Mg\n0.000000 0.749192 0.083740 Mg\n0.000000 0.500000 0.832557 Mg\n0.500000 0.247524 0.918534 Mg\n0.500000 0.752476 0.918534 Mg\n0.500000 0.500000 0.666399 Mg\n0.000000 0.750808 0.583740 Mg\n0.000000 0.249192 0.583740 Mg\n0.000000 0.000000 0.332557 Mg\n0.500000 0.747524 0.418534 Mg\n0.500000 0.252476 0.418534 Mg\n0.500000 0.000000 0.166399 Mg\n0.000000 0.500000 0.320688 Ga\n0.000000 0.000000 0.820688 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ga"
],
"chemical_system": "Ga-Hf-Mg",
"density": 3.8138572850723826,
"density_atomic": 0.04662960218492792,
"volume": 343.1296697867107,
"volume_molar": 12.914844814924317,
"formula_full": "Hf2 Mg12 Ga2",
"formula_reduced": "HfMg6Ga",
"formula_anonymous": "ABC6",
"energy": -44.78666947,
"energy_per_atom": -2.799166841875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.78666947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.787000Z",
"spacegroup": 38
},
{
"id": "mp-1017099",
"created_at": "2022-09-04T14:47:28.414900Z",
"structure_string": "Cs2 Mg12 Cr2\n1.0\n5.362303 0.000000 0.000000\n0.000000 6.790872 0.000000\n0.000000 0.000000 11.864763\nCs Mg Cr\n2 12 2\ndirect\n0.500000 0.500000 0.665816 Cs\n0.500000 0.000000 0.165816 Cs\n0.500000 0.746684 0.917349 Mg\n0.500000 0.253316 0.917349 Mg\n0.000000 0.221864 0.578751 Mg\n0.000000 0.778136 0.578751 Mg\n0.000000 0.500000 0.848478 Mg\n0.000000 0.000000 0.828493 Mg\n0.500000 0.246684 0.417349 Mg\n0.500000 0.753316 0.417349 Mg\n0.000000 0.721864 0.078751 Mg\n0.000000 0.278136 0.078751 Mg\n0.000000 0.000000 0.348478 Mg\n0.000000 0.500000 0.328493 Mg\n0.500000 0.000000 0.665009 Cr\n0.500000 0.500000 0.165009 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cr"
],
"chemical_system": "Cr-Cs-Mg",
"density": 2.542252946155238,
"density_atomic": 0.037032584297711904,
"volume": 432.0519429962812,
"volume_molar": 16.261735102219387,
"formula_full": "Cs2 Mg12 Cr2",
"formula_reduced": "CsMg6Cr",
"formula_anonymous": "ABC6",
"energy": -32.53190057,
"energy_per_atom": -2.033243785625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.53190057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8306936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.960000Z",
"spacegroup": 38
},
{
"id": "mp-1017097",
"created_at": "2022-09-04T14:42:01.733327Z",
"structure_string": "Cs1 Mg6 Mo1\n1.0\n5.134168 -5.152559 0.000000\n5.134168 5.152559 0.000000\n0.000000 0.000000 3.916514\nCs Mg Mo\n1 6 1\ndirect\n0.872527 0.127473 0.500000 Cs\n0.373744 0.118398 0.500000 Mg\n0.881602 0.626256 0.500000 Mg\n0.177305 0.424222 0.000000 Mg\n0.575778 0.822695 0.000000 Mg\n0.571628 0.428372 0.000000 Mg\n0.175463 0.824537 0.000000 Mg\n0.371959 0.628041 0.500000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Mo"
],
"chemical_system": "Cs-Mg-Mo",
"density": 3.002490274418949,
"density_atomic": 0.03860710698315272,
"volume": 207.2157337116977,
"volume_molar": 15.598528951231511,
"formula_full": "Cs1 Mg6 Mo1",
"formula_reduced": "CsMg6Mo",
"formula_anonymous": "ABC6",
"energy": -17.83020605,
"energy_per_atom": -2.22877575625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.83020605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5644169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.910000Z",
"spacegroup": 38
},
{
"id": "mp-1017095",
"created_at": "2022-09-04T14:39:47.825704Z",
"structure_string": "Mg12 Ga2 Bi2\n1.0\n5.306163 0.000000 0.000000\n0.000000 6.289440 0.000000\n0.000000 0.000000 11.183834\nMg Ga Bi\n12 2 2\ndirect\n0.000000 0.245797 0.081814 Mg\n0.000000 0.754203 0.081814 Mg\n0.000000 0.000000 0.331692 Mg\n0.500000 0.745951 0.412528 Mg\n0.500000 0.254049 0.412528 Mg\n0.500000 0.000000 0.167937 Mg\n0.000000 0.745797 0.581814 Mg\n0.000000 0.254203 0.581814 Mg\n0.000000 0.500000 0.831692 Mg\n0.500000 0.245951 0.912528 Mg\n0.500000 0.754049 0.912528 Mg\n0.500000 0.500000 0.667937 Mg\n0.000000 0.500000 0.348801 Ga\n0.000000 0.000000 0.848801 Ga\n0.500000 0.500000 0.162884 Bi\n0.500000 0.000000 0.662884 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Mg",
"density": 3.777527889179944,
"density_atomic": 0.042868343798304315,
"volume": 373.2357861847905,
"volume_molar": 14.04799025671295,
"formula_full": "Mg12 Ga2 Bi2",
"formula_reduced": "Mg6GaBi",
"formula_anonymous": "ABC6",
"energy": -33.69827033,
"energy_per_atom": -2.106141895625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.69827033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.381000Z",
"spacegroup": 38
},
{
"id": "mp-1017091",
"created_at": "2022-09-04T14:39:09.263303Z",
"structure_string": "Rb2 Mg12 Cd2\n1.0\n5.411857 0.000000 0.000000\n0.000000 6.909162 0.000000\n0.000000 0.000000 11.796745\nRb Mg Cd\n2 12 2\ndirect\n0.000000 0.000000 0.168156 Rb\n0.000000 0.500000 0.668156 Rb\n0.000000 0.245426 0.418604 Mg\n0.000000 0.754574 0.418604 Mg\n0.000000 0.000000 0.662163 Mg\n0.500000 0.227266 0.574989 Mg\n0.500000 0.772734 0.574989 Mg\n0.500000 0.000000 0.833406 Mg\n0.000000 0.745426 0.918604 Mg\n0.000000 0.254574 0.918604 Mg\n0.000000 0.500000 0.162163 Mg\n0.500000 0.727266 0.074989 Mg\n0.500000 0.272734 0.074989 Mg\n0.500000 0.500000 0.333406 Mg\n0.500000 0.000000 0.349089 Cd\n0.500000 0.500000 0.849089 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Rb",
"density": 2.587830723618571,
"density_atomic": 0.03627321939052893,
"volume": 441.09677246287265,
"volume_molar": 16.602167828456942,
"formula_full": "Rb2 Mg12 Cd2",
"formula_reduced": "RbMg6Cd",
"formula_anonymous": "ABC6",
"energy": -19.83819844,
"energy_per_atom": -1.2398874025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.83819844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.533000Z",
"spacegroup": 38
},
{
"id": "mp-1017090",
"created_at": "2022-09-04T14:43:41.639530Z",
"structure_string": "Cs2 Ba2 Mg12\n1.0\n5.164320 0.000000 0.000000\n0.000000 7.200972 0.000000\n0.000000 0.000000 14.852260\nCs Ba Mg\n2 2 12\ndirect\n0.500000 0.000000 0.182032 Cs\n0.500000 0.500000 0.682032 Cs\n0.500000 0.500000 0.171357 Ba\n0.500000 0.000000 0.671357 Ba\n0.500000 0.259442 0.421955 Mg\n0.500000 0.740558 0.421955 Mg\n0.000000 0.738887 0.036070 Mg\n0.000000 0.261113 0.036070 Mg\n0.000000 0.000000 0.368209 Mg\n0.000000 0.500000 0.362348 Mg\n0.500000 0.759442 0.921955 Mg\n0.500000 0.240558 0.921955 Mg\n0.000000 0.238887 0.536070 Mg\n0.000000 0.761113 0.536070 Mg\n0.000000 0.500000 0.868209 Mg\n0.000000 0.000000 0.862348 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Ba",
"Mg"
],
"chemical_system": "Ba-Cs-Mg",
"density": 2.5017321331390794,
"density_atomic": 0.028968310860036078,
"volume": 552.327682387349,
"volume_molar": 20.788719056132425,
"formula_full": "Cs2 Ba2 Mg12",
"formula_reduced": "CsBaMg6",
"formula_anonymous": "ABC6",
"energy": -21.56570098,
"energy_per_atom": -1.34785631125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.56570098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.314000Z",
"spacegroup": 38
}
]
}