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=97",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=95",
"results": [
{
"id": "mp-1016660",
"created_at": "2022-09-04T14:41:12.565107Z",
"structure_string": "Hf2 Mg12 Mo2\n1.0\n4.901568 0.000000 0.000000\n0.000000 6.107805 0.000000\n0.000000 0.000000 11.146274\nHf Mg Mo\n2 12 2\ndirect\n0.500000 0.500000 0.197560 Hf\n0.500000 0.000000 0.697560 Hf\n0.000000 0.746043 0.074561 Mg\n0.000000 0.253957 0.074561 Mg\n0.000000 0.000000 0.327028 Mg\n0.500000 0.257090 0.427652 Mg\n0.500000 0.742910 0.427652 Mg\n0.500000 0.000000 0.169241 Mg\n0.000000 0.246043 0.574561 Mg\n0.000000 0.753957 0.574561 Mg\n0.000000 0.500000 0.827028 Mg\n0.500000 0.757090 0.927652 Mg\n0.500000 0.242910 0.927652 Mg\n0.500000 0.500000 0.669241 Mg\n0.000000 0.500000 0.301743 Mo\n0.000000 0.000000 0.801743 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Mo"
],
"chemical_system": "Hf-Mg-Mo",
"density": 4.18260872771264,
"density_atomic": 0.04794795319277505,
"volume": 333.69516182832456,
"volume_molar": 12.559745221632186,
"formula_full": "Hf2 Mg12 Mo2",
"formula_reduced": "HfMg6Mo",
"formula_anonymous": "ABC6",
"energy": -57.92387652,
"energy_per_atom": -3.6202422825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.92387652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.827000Z",
"spacegroup": 38
},
{
"id": "mp-1016661",
"created_at": "2022-09-04T14:42:16.690239Z",
"structure_string": "Mg12 Ga2 Mo2\n1.0\n4.933676 0.000000 0.000000\n0.000000 5.871957 0.000000\n0.000000 0.000000 10.844190\nMg Ga Mo\n12 2 2\ndirect\n0.500000 0.248439 0.421387 Mg\n0.500000 0.751561 0.421387 Mg\n0.000000 0.760110 0.084280 Mg\n0.000000 0.239890 0.084280 Mg\n0.000000 0.000000 0.321031 Mg\n0.000000 0.500000 0.325371 Mg\n0.500000 0.748439 0.921387 Mg\n0.500000 0.251561 0.921387 Mg\n0.000000 0.260110 0.584280 Mg\n0.000000 0.739890 0.584280 Mg\n0.000000 0.500000 0.821031 Mg\n0.000000 0.000000 0.825371 Mg\n0.500000 0.500000 0.168648 Ga\n0.500000 0.000000 0.668648 Ga\n0.500000 0.000000 0.173612 Mo\n0.500000 0.500000 0.673612 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mg-Mo",
"density": 3.292886596167545,
"density_atomic": 0.050929495290593714,
"volume": 314.1597989280502,
"volume_molar": 11.824465814237596,
"formula_full": "Mg12 Ga2 Mo2",
"formula_reduced": "Mg6GaMo",
"formula_anonymous": "ABC6",
"energy": -44.5722708,
"energy_per_atom": -2.785766925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.5722708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8666594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.784000Z",
"spacegroup": 38
},
{
"id": "mp-1016662",
"created_at": "2022-09-04T14:44:29.592442Z",
"structure_string": "Mg12 Cr2 B2\n1.0\n3.319760 0.000000 0.000000\n0.000000 9.317132 0.000000\n0.000000 0.000000 10.203902\nMg Cr B\n12 2 2\ndirect\n0.000000 0.671079 0.119919 Mg\n0.000000 0.328921 0.119919 Mg\n0.000000 0.500000 0.843644 Mg\n0.500000 0.763758 0.871651 Mg\n0.500000 0.236242 0.871651 Mg\n0.500000 0.500000 0.590897 Mg\n0.000000 0.171079 0.619919 Mg\n0.000000 0.828921 0.619919 Mg\n0.000000 0.000000 0.343644 Mg\n0.500000 0.263758 0.371651 Mg\n0.500000 0.736242 0.371651 Mg\n0.500000 0.000000 0.090897 Mg\n0.000000 0.500000 0.348105 Cr\n0.000000 0.000000 0.848105 Cr\n0.500000 0.500000 0.234212 B\n0.500000 0.000000 0.734212 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mg",
"density": 2.195408875196134,
"density_atomic": 0.05069495799837443,
"volume": 315.6132410744487,
"volume_molar": 11.879171021688396,
"formula_full": "Mg12 Cr2 B2",
"formula_reduced": "Mg6CrB",
"formula_anonymous": "ABC6",
"energy": -48.44213128,
"energy_per_atom": -3.027633205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.44213128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5657871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.657000Z",
"spacegroup": 38
},
{
"id": "mp-1016666",
"created_at": "2022-09-04T14:45:14.718525Z",
"structure_string": "Mg12 Mo2 C2\n1.0\n3.159675 0.000000 0.000000\n0.000000 9.932005 0.000000\n0.000000 0.000000 10.786626\nMg Mo C\n12 2 2\ndirect\n0.000000 0.691538 0.091362 Mg\n0.000000 0.308462 0.091362 Mg\n0.000000 0.500000 0.859364 Mg\n0.500000 0.765301 0.844284 Mg\n0.500000 0.234699 0.844284 Mg\n0.500000 0.500000 0.593734 Mg\n0.000000 0.191538 0.591362 Mg\n0.000000 0.808462 0.591362 Mg\n0.000000 0.000000 0.359364 Mg\n0.500000 0.265301 0.344284 Mg\n0.500000 0.734699 0.344284 Mg\n0.500000 0.000000 0.093734 Mg\n0.000000 0.500000 0.283995 Mo\n0.000000 0.000000 0.783995 Mo\n0.500000 0.500000 0.391615 C\n0.500000 0.000000 0.891615 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"C"
],
"chemical_system": "C-Mg-Mo",
"density": 2.4898473383099273,
"density_atomic": 0.047266671255601085,
"volume": 338.50490366621716,
"volume_molar": 12.740776111426248,
"formula_full": "Mg12 Mo2 C2",
"formula_reduced": "Mg6MoC",
"formula_anonymous": "ABC6",
"energy": -54.59004413,
"energy_per_atom": -3.411877758125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.59004413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.047000Z",
"spacegroup": 38
},
{
"id": "mp-1016669",
"created_at": "2022-09-04T14:39:34.576853Z",
"structure_string": "Mg12 B2 Mo2\n1.0\n4.755033 0.000000 0.000000\n0.000000 5.599418 0.000000\n0.000000 0.000000 10.778765\nMg B Mo\n12 2 2\ndirect\n0.500000 0.249103 0.427503 Mg\n0.500000 0.750897 0.427503 Mg\n0.000000 0.755400 0.082171 Mg\n0.000000 0.244600 0.082171 Mg\n0.000000 0.000000 0.323976 Mg\n0.000000 0.500000 0.311064 Mg\n0.500000 0.749103 0.927503 Mg\n0.500000 0.250897 0.927503 Mg\n0.000000 0.255400 0.582171 Mg\n0.000000 0.744600 0.582171 Mg\n0.000000 0.500000 0.823976 Mg\n0.000000 0.000000 0.811064 Mg\n0.500000 0.500000 0.166220 B\n0.500000 0.000000 0.666220 B\n0.500000 0.000000 0.179386 Mo\n0.500000 0.500000 0.679386 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"B",
"Mo"
],
"chemical_system": "B-Mg-Mo",
"density": 2.922902600349801,
"density_atomic": 0.055751243025118906,
"volume": 286.9891168667064,
"volume_molar": 10.801805364746226,
"formula_full": "Mg12 B2 Mo2",
"formula_reduced": "Mg6BMo",
"formula_anonymous": "ABC6",
"energy": -46.1887202,
"energy_per_atom": -2.8867950125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.1887202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.445000Z",
"spacegroup": 38
},
{
"id": "mp-1016677",
"created_at": "2022-09-04T14:45:24.054246Z",
"structure_string": "Mg12 Cr2 C2\n1.0\n3.111152 0.000000 0.000000\n0.000000 9.703971 0.000000\n0.000000 0.000000 10.344159\nMg Cr C\n12 2 2\ndirect\n0.000000 0.660099 0.120908 Mg\n0.000000 0.339901 0.120908 Mg\n0.000000 0.500000 0.846975 Mg\n0.500000 0.767546 0.877346 Mg\n0.500000 0.232454 0.877346 Mg\n0.500000 0.500000 0.584231 Mg\n0.000000 0.160099 0.620908 Mg\n0.000000 0.839901 0.620908 Mg\n0.000000 0.000000 0.346975 Mg\n0.500000 0.267546 0.377346 Mg\n0.500000 0.732454 0.377346 Mg\n0.500000 0.000000 0.084231 Mg\n0.000000 0.500000 0.338958 Cr\n0.000000 0.000000 0.838958 Cr\n0.500000 0.500000 0.233328 C\n0.500000 0.000000 0.733328 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"C"
],
"chemical_system": "C-Cr-Mg",
"density": 2.2314894637724207,
"density_atomic": 0.05123350588624471,
"volume": 312.2956300418964,
"volume_molar": 11.754301517782405,
"formula_full": "Mg12 Cr2 C2",
"formula_reduced": "Mg6CrC",
"formula_anonymous": "ABC6",
"energy": -53.08336055,
"energy_per_atom": -3.317710034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.08336055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0634259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.195000Z",
"spacegroup": 38
},
{
"id": "mp-1016680",
"created_at": "2022-09-04T14:39:47.494525Z",
"structure_string": "Mg12 Nb2 Ga2\n1.0\n4.968521 0.000000 0.000000\n0.000000 5.951379 0.000000\n0.000000 0.000000 10.994739\nMg Nb Ga\n12 2 2\ndirect\n0.500000 0.249055 0.421803 Mg\n0.500000 0.750945 0.421803 Mg\n0.000000 0.757770 0.082754 Mg\n0.000000 0.242230 0.082754 Mg\n0.000000 0.000000 0.324948 Mg\n0.000000 0.500000 0.324930 Mg\n0.500000 0.749055 0.921803 Mg\n0.500000 0.250945 0.921803 Mg\n0.000000 0.257770 0.582754 Mg\n0.000000 0.742230 0.582754 Mg\n0.000000 0.500000 0.824948 Mg\n0.000000 0.000000 0.824930 Mg\n0.500000 0.000000 0.173064 Nb\n0.500000 0.500000 0.673064 Nb\n0.500000 0.500000 0.167940 Ga\n0.500000 0.000000 0.667940 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Ga"
],
"chemical_system": "Ga-Mg-Nb",
"density": 3.150992810310258,
"density_atomic": 0.04921418760290307,
"volume": 325.1095015343946,
"volume_molar": 12.236594879084754,
"formula_full": "Mg12 Nb2 Ga2",
"formula_reduced": "Mg6NbGa",
"formula_anonymous": "ABC6",
"energy": -44.07759068,
"energy_per_atom": -2.7548494175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.07759068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7069866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.952000Z",
"spacegroup": 38
},
{
"id": "mp-10167",
"created_at": "2022-09-04T14:45:21.105235Z",
"structure_string": "Na3 Sb1 S4\n1.0\n-3.626916 3.626916 3.626916\n3.626916 -3.626916 3.626916\n3.626916 3.626916 -3.626916\nNa Sb S\n3 1 4\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.000000 0.623076 0.000000 S\n0.376924 0.376924 0.376924 S\n0.000000 0.000000 0.623076 S\n0.623076 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"S"
],
"chemical_system": "Na-S-Sb",
"density": 2.775573550587957,
"density_atomic": 0.04191963606638226,
"volume": 190.841351469071,
"volume_molar": 14.36591851719223,
"formula_full": "Na3 Sb1 S4",
"formula_reduced": "Na3SbS4",
"formula_anonymous": "AB3C4",
"energy": -32.70751584,
"energy_per_atom": -4.08843948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.69551584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.981000Z",
"spacegroup": 217
},
{
"id": "mp-1016819",
"created_at": "2022-09-04T14:40:26.492641Z",
"structure_string": "Hf1 Zn1 O3\n1.0\n4.076656 0.000000 0.000000\n0.000000 4.076656 0.000000\n0.000000 0.000000 4.076656\nHf Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"O"
],
"chemical_system": "Hf-O-Zn",
"density": 7.154294748629557,
"density_atomic": 0.07380024547968425,
"volume": 67.7504521495989,
"volume_molar": 8.160055187970583,
"formula_full": "Hf1 Zn1 O3",
"formula_reduced": "HfZnO3",
"formula_anonymous": "ABC3",
"energy": -38.26690293,
"energy_per_atom": -7.653380586,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.20590293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.337000Z",
"spacegroup": 221
},
{
"id": "mp-1016820",
"created_at": "2022-09-04T14:45:04.056982Z",
"structure_string": "Mg1 Sn1 O3\n1.0\n4.025234 0.000000 0.000000\n0.000000 4.025234 0.000000\n0.000000 0.000000 4.025234\nMg Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.863389810713269,
"density_atomic": 0.07666490593578448,
"volume": 65.21888912494153,
"volume_molar": 7.855146610424622,
"formula_full": "Mg1 Sn1 O3",
"formula_reduced": "MgSnO3",
"formula_anonymous": "ABC3",
"energy": -29.81626562,
"energy_per_atom": -5.9632531239999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.75526562,
"band_gap": 0.8948999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.923000Z",
"spacegroup": 221
},
{
"id": "mp-1016821",
"created_at": "2022-09-04T14:42:49.456626Z",
"structure_string": "Ba1 Si1 O3\n1.0\n3.836937 0.000000 0.000000\n0.000000 3.836937 0.000000\n0.000000 0.000000 3.836937\nBa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Si",
"O"
],
"chemical_system": "Ba-O-Si",
"density": 6.273519937114947,
"density_atomic": 0.08851482173815213,
"volume": 56.48771473314591,
"volume_molar": 6.8035393866746094,
"formula_full": "Ba1 Si1 O3",
"formula_reduced": "BaSiO3",
"formula_anonymous": "ABC3",
"energy": -36.40190069,
"energy_per_atom": -7.280380138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.34090069,
"band_gap": 0.9473000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.641000Z",
"spacegroup": 221
},
{
"id": "mp-1016823",
"created_at": "2022-09-04T14:47:26.178183Z",
"structure_string": "Ba1 Ge1 O3\n1.0\n3.980389 0.000000 0.000000\n0.000000 3.980389 0.000000\n0.000000 0.000000 3.980389\nBa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"O"
],
"chemical_system": "Ba-Ge-O",
"density": 6.792562890088615,
"density_atomic": 0.0792854421049859,
"volume": 63.06327955363161,
"volume_molar": 7.595518925183991,
"formula_full": "Ba1 Ge1 O3",
"formula_reduced": "BaGeO3",
"formula_anonymous": "ABC3",
"energy": -33.70407482,
"energy_per_atom": -6.740814964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.64307482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.565000Z",
"spacegroup": 221
}
]
}