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=114",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=112",
"results": [
{
"id": "mp-1017455",
"created_at": "2022-09-04T14:39:30.783502Z",
"structure_string": "La2 Hf2 Mg12\n1.0\n5.212484 0.000000 0.000000\n0.000000 6.635417 0.000000\n0.000000 0.000000 11.462341\nLa Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.671863 La\n0.000000 0.000000 0.171863 La\n0.500000 0.500000 0.834672 Hf\n0.500000 0.000000 0.334672 Hf\n0.000000 0.258016 0.916002 Mg\n0.000000 0.741984 0.916002 Mg\n0.000000 0.500000 0.165069 Mg\n0.500000 0.256542 0.080965 Mg\n0.500000 0.743458 0.080965 Mg\n0.500000 0.500000 0.334461 Mg\n0.000000 0.758016 0.416002 Mg\n0.000000 0.241984 0.416002 Mg\n0.000000 0.000000 0.665069 Mg\n0.500000 0.756542 0.580965 Mg\n0.500000 0.243458 0.580965 Mg\n0.500000 0.000000 0.834461 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Hf",
"Mg"
],
"chemical_system": "Hf-La-Mg",
"density": 3.8804781587716604,
"density_atomic": 0.0403583778695145,
"volume": 396.44804485776706,
"volume_molar": 14.921662063501671,
"formula_full": "La2 Hf2 Mg12",
"formula_reduced": "LaHfMg6",
"formula_anonymous": "ABC6",
"energy": -46.97722156,
"energy_per_atom": -2.9360763475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.97722156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.741000Z",
"spacegroup": 38
},
{
"id": "mp-1017456",
"created_at": "2022-09-04T14:46:41.468763Z",
"structure_string": "Sr2 Mg12 Si2\n1.0\n4.909018 0.000000 0.000000\n0.000000 6.051128 0.000000\n0.000000 0.000000 13.521838\nSr Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.197632 Sr\n0.500000 0.000000 0.697632 Sr\n0.500000 0.244684 0.436820 Mg\n0.500000 0.755316 0.436820 Mg\n0.000000 0.754562 0.075478 Mg\n0.000000 0.245438 0.075478 Mg\n0.000000 0.000000 0.299723 Mg\n0.000000 0.500000 0.362789 Mg\n0.500000 0.744684 0.936820 Mg\n0.500000 0.255316 0.936820 Mg\n0.000000 0.254562 0.575478 Mg\n0.000000 0.745438 0.575478 Mg\n0.000000 0.500000 0.799723 Mg\n0.000000 0.000000 0.862789 Mg\n0.500000 0.000000 0.115254 Si\n0.500000 0.500000 0.615254 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.1624349269946466,
"density_atomic": 0.03983394229602445,
"volume": 401.6674995684986,
"volume_molar": 15.118113881992112,
"formula_full": "Sr2 Mg12 Si2",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy": -32.85481059,
"energy_per_atom": -2.053425661875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.99681059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.619000Z",
"spacegroup": 38
},
{
"id": "mp-1017457",
"created_at": "2022-09-04T14:42:18.685746Z",
"structure_string": "Ba2 Ce2 Mg12\n1.0\n5.402069 0.000000 0.000000\n0.000000 7.051890 0.000000\n0.000000 0.000000 11.994410\nBa Ce Mg\n2 2 12\ndirect\n0.500000 0.500000 0.834478 Ba\n0.500000 0.000000 0.334478 Ba\n0.500000 0.500000 0.339086 Ce\n0.500000 0.000000 0.839086 Ce\n0.500000 0.253139 0.082447 Mg\n0.500000 0.746861 0.082447 Mg\n0.000000 0.234450 0.926979 Mg\n0.000000 0.765550 0.926979 Mg\n0.000000 0.500000 0.160497 Mg\n0.000000 0.500000 0.647091 Mg\n0.500000 0.753139 0.582447 Mg\n0.500000 0.246861 0.582447 Mg\n0.000000 0.734450 0.426979 Mg\n0.000000 0.265550 0.426979 Mg\n0.000000 0.000000 0.660497 Mg\n0.000000 0.000000 0.147091 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"Mg"
],
"chemical_system": "Ba-Ce-Mg",
"density": 3.076487203673505,
"density_atomic": 0.035016717802955885,
"volume": 456.92460641326534,
"volume_molar": 17.19790185330177,
"formula_full": "Ba2 Ce2 Mg12",
"formula_reduced": "BaCeMg6",
"formula_anonymous": "ABC6",
"energy": -32.56795698,
"energy_per_atom": -2.03549731125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.56795698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4011247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.198000Z",
"spacegroup": 38
},
{
"id": "mp-1017459",
"created_at": "2022-09-04T14:47:34.035979Z",
"structure_string": "La1 Mg6 C1\n1.0\n2.795734 -6.895927 0.000000\n2.795734 6.895927 0.000000\n0.000000 0.000000 4.694373\nLa Mg C\n1 6 1\ndirect\n0.803989 0.196011 0.500000 La\n0.297699 0.206905 0.500000 Mg\n0.793095 0.702301 0.500000 Mg\n0.183225 0.340376 0.000000 Mg\n0.659624 0.816775 0.000000 Mg\n0.638959 0.361041 0.000000 Mg\n0.215364 0.784636 0.000000 Mg\n0.408048 0.591952 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"C"
],
"chemical_system": "C-La-Mg",
"density": 2.7223134342581035,
"density_atomic": 0.0441971121638585,
"volume": 181.00730134449543,
"volume_molar": 13.62564309105361,
"formula_full": "La1 Mg6 C1",
"formula_reduced": "LaMg6C",
"formula_anonymous": "ABC6",
"energy": -20.83562639,
"energy_per_atom": -2.60445329875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.83562639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.762000Z",
"spacegroup": 38
},
{
"id": "mp-1017460",
"created_at": "2022-09-04T14:47:27.225980Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.562106 0.400083 0.000000\n-2.934571 5.082825 0.000000\n0.000000 0.000000 5.185649\nCe Mg Nb\n1 6 1\ndirect\n0.148092 0.324045 0.250000 Ce\n0.652409 0.327302 0.250000 Mg\n0.652409 0.825106 0.250000 Mg\n0.338490 0.161489 0.750000 Mg\n0.338490 0.677001 0.750000 Mg\n0.826529 0.163265 0.750000 Mg\n0.878626 0.689313 0.750000 Mg\n0.164955 0.832477 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Nb"
],
"chemical_system": "Ce-Mg-Nb",
"density": 3.513526338426958,
"density_atomic": 0.044680094513407285,
"volume": 179.05065079035177,
"volume_molar": 13.478352777863796,
"formula_full": "Ce1 Mg6 Nb1",
"formula_reduced": "CeMg6Nb",
"formula_anonymous": "ABC6",
"energy": -24.15783555,
"energy_per_atom": -3.01972944375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.15783555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6727191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.612000Z",
"spacegroup": 38
},
{
"id": "mp-1017461",
"created_at": "2022-09-04T14:45:19.482993Z",
"structure_string": "La2 Mg12 C2\n1.0\n4.583892 0.000000 0.000000\n0.000000 6.805579 0.000000\n0.000000 0.000000 11.664841\nLa Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.302802 La\n0.000000 0.000000 0.802802 La\n0.000000 0.259457 0.077966 Mg\n0.000000 0.740543 0.077966 Mg\n0.000000 0.500000 0.834623 Mg\n0.500000 0.271865 0.925491 Mg\n0.500000 0.728135 0.925491 Mg\n0.500000 0.500000 0.667565 Mg\n0.000000 0.759457 0.577966 Mg\n0.000000 0.240543 0.577966 Mg\n0.000000 0.000000 0.334623 Mg\n0.500000 0.771865 0.425491 Mg\n0.500000 0.228135 0.425491 Mg\n0.500000 0.000000 0.167565 Mg\n0.500000 0.500000 0.188097 C\n0.500000 0.000000 0.688097 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"C"
],
"chemical_system": "C-La-Mg",
"density": 2.708232438236039,
"density_atomic": 0.043968505364680124,
"volume": 363.896836321682,
"volume_molar": 13.696487315299057,
"formula_full": "La2 Mg12 C2",
"formula_reduced": "LaMg6C",
"formula_anonymous": "ABC6",
"energy": -40.01310705,
"energy_per_atom": -2.500819190625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.01310705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.308000Z",
"spacegroup": 38
},
{
"id": "mp-1017462",
"created_at": "2022-09-04T14:45:07.572508Z",
"structure_string": "La2 Mg12 Sb2\n1.0\n5.356396 0.000000 0.000000\n0.000000 6.412301 0.000000\n0.000000 0.000000 11.920681\nLa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.170219 La\n0.500000 0.500000 0.670219 La\n0.500000 0.247281 0.417786 Mg\n0.500000 0.752719 0.417786 Mg\n0.000000 0.744382 0.076842 Mg\n0.000000 0.255618 0.076842 Mg\n0.000000 0.000000 0.339439 Mg\n0.000000 0.500000 0.335568 Mg\n0.500000 0.747281 0.917786 Mg\n0.500000 0.252719 0.917786 Mg\n0.000000 0.244382 0.576842 Mg\n0.000000 0.755618 0.576842 Mg\n0.000000 0.500000 0.839439 Mg\n0.000000 0.000000 0.835568 Mg\n0.500000 0.500000 0.165515 Sb\n0.500000 0.000000 0.665515 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sb"
],
"chemical_system": "La-Mg-Sb",
"density": 3.297214184788288,
"density_atomic": 0.03907800093029451,
"volume": 409.43752543893027,
"volume_molar": 15.410565066370744,
"formula_full": "La2 Mg12 Sb2",
"formula_reduced": "LaMg6Sb",
"formula_anonymous": "ABC6",
"energy": -39.83959979,
"energy_per_atom": -2.489974986875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.45559979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.272000Z",
"spacegroup": 38
},
{
"id": "mp-1017463",
"created_at": "2022-09-04T14:45:41.358456Z",
"structure_string": "La2 Hf2 Mg12\n1.0\n5.238810 0.000000 0.000000\n0.000000 6.617540 0.000000\n0.000000 0.000000 11.468514\nLa Hf Mg\n2 2 12\ndirect\n0.500000 0.500000 0.664729 La\n0.500000 0.000000 0.164729 La\n0.500000 0.000000 0.662018 Hf\n0.500000 0.500000 0.162018 Hf\n0.500000 0.748927 0.916958 Mg\n0.500000 0.251073 0.916958 Mg\n0.000000 0.237344 0.584037 Mg\n0.000000 0.762656 0.584037 Mg\n0.000000 0.500000 0.840649 Mg\n0.000000 0.000000 0.830612 Mg\n0.500000 0.248927 0.416958 Mg\n0.500000 0.751073 0.416958 Mg\n0.000000 0.737344 0.084037 Mg\n0.000000 0.262656 0.084037 Mg\n0.000000 0.000000 0.340649 Mg\n0.000000 0.500000 0.330612 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Hf",
"Mg"
],
"chemical_system": "Hf-La-Mg",
"density": 3.8693244866400205,
"density_atomic": 0.040242375640896395,
"volume": 397.5908416236731,
"volume_molar": 14.964675082153915,
"formula_full": "La2 Hf2 Mg12",
"formula_reduced": "LaHfMg6",
"formula_anonymous": "ABC6",
"energy": -46.86571416,
"energy_per_atom": -2.929107135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.86571416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.923000Z",
"spacegroup": 38
},
{
"id": "mp-1017465",
"created_at": "2022-09-04T14:47:16.511999Z",
"structure_string": "Ba1 V1 O3\n1.0\n3.982485 0.000000 0.000000\n0.000000 3.982485 0.000000\n0.000000 0.000000 3.982485\nBa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 6.211395266623796,
"density_atomic": 0.07916032311056301,
"volume": 63.16295592953194,
"volume_molar": 7.60752422850636,
"formula_full": "Ba1 V1 O3",
"formula_reduced": "BaVO3",
"formula_anonymous": "ABC3",
"energy": -39.79912774,
"energy_per_atom": -7.959825548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.03812774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9983727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.976000Z",
"spacegroup": 221
},
{
"id": "mp-1017466",
"created_at": "2022-09-04T14:44:03.880680Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n3.903091 -0.000115 -0.000006\n0.000103 -3.842793 7.722427\n0.000230 -7.685468 0.000059\nSr Mn O\n4 4 12\ndirect\n0.500000 0.750089 0.374952 Sr\n0.500000 0.249911 0.125046 Sr\n0.500000 0.750089 0.874959 Sr\n0.500000 0.249911 0.625043 Sr\n0.000001 0.999537 0.500231 Mn\n0.000001 0.500464 0.249769 Mn\n0.999999 0.500466 0.749767 Mn\n0.000000 0.999532 0.000234 Mn\n0.500000 0.500112 0.749944 O\n0.499999 0.999896 0.500052 O\n0.500001 0.500104 0.249947 O\n0.499999 0.999888 0.000057 O\n0.000000 0.499827 0.500093 O\n0.000000 0.000173 0.249917 O\n0.000000 0.499827 0.000080 O\n0.000000 0.000173 0.749909 O\n0.000000 0.749998 0.625001 O\n0.000000 0.249996 0.375002 O\n0.000000 0.750006 0.124997 O\n0.000000 0.249999 0.875000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.463879681651756,
"density_atomic": 0.08633737653148515,
"volume": 231.64938296111515,
"volume_molar": 6.975125955794905,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -151.79404614,
"energy_per_atom": -7.5897023070000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.87804614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.078000Z",
"spacegroup": 221
},
{
"id": "mp-1017467",
"created_at": "2022-09-04T14:46:02.405011Z",
"structure_string": "Ca1 Mn1 O3\n1.0\n3.801716 0.000000 0.000000\n0.000000 3.801716 0.000000\n0.000000 0.000000 3.801716\nCa Mn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.322045985981163,
"density_atomic": 0.09099782090856144,
"volume": 54.946370694131424,
"volume_molar": 6.617895571423967,
"formula_full": "Ca1 Mn1 O3",
"formula_reduced": "CaMnO3",
"formula_anonymous": "ABC3",
"energy": -38.10631509,
"energy_per_atom": -7.6212630180000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.37731509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.153875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.217000Z",
"spacegroup": 221
},
{
"id": "mp-1017473",
"created_at": "2022-09-04T14:48:30.652508Z",
"structure_string": "La2 Mg12 W2\n1.0\n5.152077 0.000000 0.000000\n0.000000 6.012548 0.000000\n0.000000 0.000000 11.765126\nLa Mg W\n2 12 2\ndirect\n0.500000 0.000000 0.174361 La\n0.500000 0.500000 0.674361 La\n0.500000 0.250858 0.422768 Mg\n0.500000 0.749142 0.422768 Mg\n0.000000 0.732806 0.083280 Mg\n0.000000 0.267194 0.083280 Mg\n0.000000 0.000000 0.341857 Mg\n0.000000 0.500000 0.306708 Mg\n0.500000 0.750858 0.922768 Mg\n0.500000 0.249142 0.922768 Mg\n0.000000 0.232806 0.583280 Mg\n0.000000 0.767194 0.583280 Mg\n0.000000 0.500000 0.841857 Mg\n0.000000 0.000000 0.806708 Mg\n0.500000 0.500000 0.164972 W\n0.500000 0.000000 0.664972 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"W"
],
"chemical_system": "La-Mg-W",
"density": 4.269933961579543,
"density_atomic": 0.04390181732974234,
"volume": 364.449605350629,
"volume_molar": 13.717292645924605,
"formula_full": "La2 Mg12 W2",
"formula_reduced": "LaMg6W",
"formula_anonymous": "ABC6",
"energy": -49.86715276,
"energy_per_atom": -3.1166970475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.86715276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:53.397000Z",
"spacegroup": 38
}
]
}