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=105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=103",
"results": [
{
"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-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-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-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-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-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-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-1017129",
"created_at": "2022-09-04T14:47:29.515656Z",
"structure_string": "Mg12 Bi2 Sb2\n1.0\n5.312534 0.000000 0.000000\n0.000000 6.518096 0.000000\n0.000000 0.000000 11.369786\nMg Bi Sb\n12 2 2\ndirect\n0.500000 0.250435 0.416201 Mg\n0.500000 0.749565 0.416201 Mg\n0.000000 0.754558 0.080304 Mg\n0.000000 0.245442 0.080304 Mg\n0.000000 0.000000 0.334531 Mg\n0.000000 0.500000 0.337398 Mg\n0.500000 0.750435 0.916201 Mg\n0.500000 0.249565 0.916201 Mg\n0.000000 0.254558 0.580304 Mg\n0.000000 0.745442 0.580304 Mg\n0.000000 0.500000 0.834531 Mg\n0.000000 0.000000 0.837398 Mg\n0.500000 0.500000 0.167373 Bi\n0.500000 0.000000 0.667373 Bi\n0.500000 0.000000 0.167683 Sb\n0.500000 0.500000 0.667683 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"Sb"
],
"chemical_system": "Bi-Mg-Sb",
"density": 4.020049420326002,
"density_atomic": 0.04063920626161559,
"volume": 393.708476907736,
"volume_molar": 14.818549164647473,
"formula_full": "Mg12 Bi2 Sb2",
"formula_reduced": "Mg6BiSb",
"formula_anonymous": "ABC6",
"energy": -36.15990346,
"energy_per_atom": -2.25999396625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.77590346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.441000Z",
"spacegroup": 38
},
{
"id": "mp-1017132",
"created_at": "2022-09-04T14:42:26.504856Z",
"structure_string": "Hf2 Mg12 Sb2\n1.0\n5.323906 0.000000 0.000000\n0.000000 6.074044 0.000000\n0.000000 0.000000 11.174742\nHf Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.169343 Hf\n0.500000 0.000000 0.669343 Hf\n0.500000 0.252085 0.417386 Mg\n0.500000 0.747915 0.417386 Mg\n0.000000 0.743120 0.081494 Mg\n0.000000 0.256880 0.081494 Mg\n0.000000 0.000000 0.335355 Mg\n0.000000 0.500000 0.330173 Mg\n0.500000 0.752085 0.917386 Mg\n0.500000 0.247915 0.917386 Mg\n0.000000 0.243120 0.581494 Mg\n0.000000 0.756880 0.581494 Mg\n0.000000 0.500000 0.835355 Mg\n0.000000 0.000000 0.830173 Mg\n0.500000 0.000000 0.167365 Sb\n0.500000 0.500000 0.667365 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Sb"
],
"chemical_system": "Hf-Mg-Sb",
"density": 4.099642887093293,
"density_atomic": 0.04427658992170098,
"volume": 361.3647760203419,
"volume_molar": 13.601184668127322,
"formula_full": "Hf2 Mg12 Sb2",
"formula_reduced": "HfMg6Sb",
"formula_anonymous": "ABC6",
"energy": -47.85243234,
"energy_per_atom": -2.99077702125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.46843234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.254000Z",
"spacegroup": 38
},
{
"id": "mp-1017143",
"created_at": "2022-09-04T14:42:49.336275Z",
"structure_string": "Mg12 Bi2 Sb2\n1.0\n5.366242 0.000000 0.000000\n0.000000 6.181520 0.000000\n0.000000 0.000000 11.971977\nMg Bi Sb\n12 2 2\ndirect\n0.000000 0.754711 0.087106 Mg\n0.000000 0.245289 0.087106 Mg\n0.000000 0.000000 0.323985 Mg\n0.500000 0.249982 0.409302 Mg\n0.500000 0.750018 0.409302 Mg\n0.500000 0.000000 0.174884 Mg\n0.000000 0.254711 0.587106 Mg\n0.000000 0.745289 0.587106 Mg\n0.000000 0.500000 0.823985 Mg\n0.500000 0.749982 0.909302 Mg\n0.500000 0.250018 0.909302 Mg\n0.500000 0.500000 0.674884 Mg\n0.500000 0.500000 0.139229 Bi\n0.500000 0.000000 0.639229 Bi\n0.000000 0.500000 0.369086 Sb\n0.000000 0.000000 0.869086 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"Sb"
],
"chemical_system": "Bi-Mg-Sb",
"density": 3.9854260133605783,
"density_atomic": 0.04028919370454767,
"volume": 397.1288211258988,
"volume_molar": 14.947285379206404,
"formula_full": "Mg12 Bi2 Sb2",
"formula_reduced": "Mg6BiSb",
"formula_anonymous": "ABC6",
"energy": -36.90102801,
"energy_per_atom": -2.306314250625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.51702801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.143000Z",
"spacegroup": 38
},
{
"id": "mp-1017152",
"created_at": "2022-09-04T14:43:10.291795Z",
"structure_string": "Hf2 Mg12 Bi2\n1.0\n5.351966 0.000000 0.000000\n0.000000 6.172854 0.000000\n0.000000 0.000000 11.277810\nHf Mg Bi\n2 12 2\ndirect\n0.500000 0.500000 0.168068 Hf\n0.500000 0.000000 0.668068 Hf\n0.500000 0.252213 0.416857 Mg\n0.500000 0.747787 0.416857 Mg\n0.000000 0.739631 0.081345 Mg\n0.000000 0.260369 0.081345 Mg\n0.000000 0.000000 0.337944 Mg\n0.000000 0.500000 0.329909 Mg\n0.500000 0.752213 0.916857 Mg\n0.500000 0.247787 0.916857 Mg\n0.000000 0.239631 0.581345 Mg\n0.000000 0.760369 0.581345 Mg\n0.000000 0.500000 0.837944 Mg\n0.000000 0.000000 0.829909 Mg\n0.500000 0.000000 0.167671 Bi\n0.500000 0.500000 0.667671 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Bi"
],
"chemical_system": "Bi-Hf-Mg",
"density": 4.753646447571306,
"density_atomic": 0.042943343812142334,
"volume": 372.5839345439132,
"volume_molar": 14.023455617112948,
"formula_full": "Hf2 Mg12 Bi2",
"formula_reduced": "HfMg6Bi",
"formula_anonymous": "ABC6",
"energy": -46.1628925,
"energy_per_atom": -2.88518078125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.1628925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.164000Z",
"spacegroup": 38
},
{
"id": "mp-1017155",
"created_at": "2022-09-04T14:43:07.671214Z",
"structure_string": "Hf2 Mg12 Bi2\n1.0\n5.200114 0.000000 0.000000\n0.000000 6.527935 0.000000\n0.000000 0.000000 10.984998\nHf Mg Bi\n2 12 2\ndirect\n0.500000 0.500000 0.166066 Hf\n0.500000 0.000000 0.666066 Hf\n0.000000 0.249960 0.082934 Mg\n0.000000 0.750040 0.082934 Mg\n0.000000 0.500000 0.834506 Mg\n0.500000 0.258755 0.919972 Mg\n0.500000 0.741245 0.919972 Mg\n0.500000 0.500000 0.664233 Mg\n0.000000 0.749960 0.582934 Mg\n0.000000 0.250040 0.582934 Mg\n0.000000 0.000000 0.334506 Mg\n0.500000 0.758755 0.419972 Mg\n0.500000 0.241245 0.419972 Mg\n0.500000 0.000000 0.164233 Mg\n0.000000 0.500000 0.329385 Bi\n0.000000 0.000000 0.829385 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Bi"
],
"chemical_system": "Bi-Hf-Mg",
"density": 4.749657945987019,
"density_atomic": 0.04290731261026009,
"volume": 372.8968100457088,
"volume_molar": 14.035231744064001,
"formula_full": "Hf2 Mg12 Bi2",
"formula_reduced": "HfMg6Bi",
"formula_anonymous": "ABC6",
"energy": -46.12392655,
"energy_per_atom": -2.882745409375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.12392655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.668000Z",
"spacegroup": 38
}
]
}