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=formula_anonymous&page=12128",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12126",
"results": [
{
"id": "mp-1517149",
"created_at": "2022-09-04T14:41:10.257305Z",
"structure_string": "Na1 Ca1 Ce1 Fe1 O6\n1.0\n0.000000 -4.062267 -4.062267\n4.062267 -0.000000 -4.062267\n4.062267 -4.062267 0.000000\nNa Ca Ce Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.732988 0.267012 0.267012 O\n0.267012 0.732988 0.732988 O\n0.732988 0.267012 0.732988 O\n0.267012 0.732988 0.267012 O\n0.732988 0.732988 0.267012 O\n0.267012 0.267012 0.732988 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ce",
"Fe",
"O"
],
"chemical_system": "Ca-Ce-Fe-Na-O",
"density": 4.397165891636984,
"density_atomic": 0.07458725252455395,
"volume": 134.0711671435816,
"volume_molar": 8.073954403961356,
"formula_full": "Na1 Ca1 Ce1 Fe1 O6",
"formula_reduced": "NaCaCeFeO6",
"formula_anonymous": "ABCDE6",
"energy": -71.23649693,
"energy_per_atom": -7.123649693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.85849693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.832000Z",
"spacegroup": 216
},
{
"id": "mp-1517581",
"created_at": "2022-09-04T14:41:13.007116Z",
"structure_string": "Ba1 Na1 Sm1 Se1 O6\n1.0\n0.000000 -4.122617 -4.122617\n4.122617 0.000000 -4.122617\n4.122617 -4.122617 0.000000\nBa Na Sm Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Se\n0.777152 0.222848 0.222848 O\n0.222848 0.777152 0.777152 O\n0.777152 0.222848 0.777152 O\n0.222848 0.777152 0.222848 O\n0.777152 0.777152 0.222848 O\n0.222848 0.222848 0.777152 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Sm",
"Se",
"O"
],
"chemical_system": "Ba-Na-O-Se-Sm",
"density": 5.7545116592205545,
"density_atomic": 0.07135937456710778,
"volume": 140.13575736423812,
"volume_molar": 8.439172563566485,
"formula_full": "Ba1 Na1 Sm1 Se1 O6",
"formula_reduced": "BaNaSmSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.98391742,
"energy_per_atom": -6.498391742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.86191742,
"band_gap": 1.8646000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.107000Z",
"spacegroup": 216
},
{
"id": "mp-1516278",
"created_at": "2022-09-04T14:41:05.779213Z",
"structure_string": "Sr1 Ca1 Ga1 Bi1 O6\n1.0\n-0.000000 -4.067887 -4.067887\n4.067887 -0.000000 -4.067887\n4.067887 -4.067887 0.000000\nSr Ca Ga Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ga\n-0.000000 0.000000 0.000000 Bi\n0.742413 0.257587 0.257587 O\n0.257587 0.742413 0.742413 O\n0.742413 0.257587 0.742413 O\n0.257587 0.742413 0.257587 O\n0.742413 0.742413 0.257587 O\n0.257587 0.257587 0.742413 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ga",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ga-O-Sr",
"density": 6.196695983401415,
"density_atomic": 0.07427854077359819,
"volume": 134.62838520859086,
"volume_molar": 8.10751086017636,
"formula_full": "Sr1 Ca1 Ga1 Bi1 O6",
"formula_reduced": "SrCaGaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -63.04344734,
"energy_per_atom": -6.304344734,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.92144734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.745000Z",
"spacegroup": 216
},
{
"id": "mp-1518821",
"created_at": "2022-09-04T14:41:07.266938Z",
"structure_string": "Ba1 Ca1 Nb1 In1 O6\n1.0\n-0.000000 -4.158804 -4.158804\n4.158804 0.000000 -4.158804\n4.158804 -4.158804 0.000000\nBa Ca Nb In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 0.000000 In\n0.741078 0.258922 0.258922 O\n0.258922 0.741078 0.741078 O\n0.741078 0.258922 0.741078 O\n0.258922 0.741078 0.258922 O\n0.741078 0.741078 0.258922 O\n0.258922 0.258922 0.741078 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Nb",
"In",
"O"
],
"chemical_system": "Ba-Ca-In-Nb-O",
"density": 5.553571542727039,
"density_atomic": 0.0695127780568945,
"volume": 143.85844271416178,
"volume_molar": 8.663357915390787,
"formula_full": "Ba1 Ca1 Nb1 In1 O6",
"formula_reduced": "BaCaNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -75.23768821,
"energy_per_atom": -7.523768821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.11568821,
"band_gap": 3.4029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.348000Z",
"spacegroup": 216
},
{
"id": "mp-1522686",
"created_at": "2022-09-04T14:41:07.896463Z",
"structure_string": "K1 La1 Cu1 W1 O6\n1.0\n0.000000 -3.996260 -3.996260\n3.996260 -0.000000 -3.996260\n3.996260 -3.996260 0.000000\nK La Cu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 W\n0.742581 0.257419 0.257419 O\n0.257419 0.742581 0.742581 O\n0.742581 0.257419 0.742581 O\n0.257419 0.742581 0.257419 O\n0.742581 0.742581 0.257419 O\n0.257419 0.257419 0.742581 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-K-La-O-W",
"density": 6.782931025694292,
"density_atomic": 0.0783445510574596,
"volume": 127.64129559777274,
"volume_molar": 7.686738488785558,
"formula_full": "K1 La1 Cu1 W1 O6",
"formula_reduced": "KLaCuWO6",
"formula_anonymous": "ABCDE6",
"energy": -75.72774787,
"energy_per_atom": -7.572774787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.16774787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.288000Z",
"spacegroup": 216
},
{
"id": "mp-1516542",
"created_at": "2022-09-04T14:41:03.833214Z",
"structure_string": "Ba1 Ca1 Ce1 Nb1 O6\n1.0\n-0.000000 -4.294800 -4.294800\n4.294800 -0.000000 -4.294800\n4.294800 -4.294800 -0.000000\nBa Ca Ce Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.736579 0.263421 0.263421 O\n0.263421 0.736579 0.736579 O\n0.736579 0.263421 0.736579 O\n0.263421 0.736579 0.263421 O\n0.736579 0.736579 0.263421 O\n0.263421 0.263421 0.736579 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Ce-Nb-O",
"density": 5.307675449383397,
"density_atomic": 0.06311624757358154,
"volume": 158.43780935078405,
"volume_molar": 9.541347896164659,
"formula_full": "Ba1 Ca1 Ce1 Nb1 O6",
"formula_reduced": "BaCaCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.19069875,
"energy_per_atom": -8.219069874999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.06869875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.583000Z",
"spacegroup": 216
},
{
"id": "mp-1522267",
"created_at": "2022-09-04T14:41:08.393516Z",
"structure_string": "Ba1 Na1 Pr1 Fe1 O6\n1.0\n0.000000 -4.201431 -4.201431\n4.201431 0.000000 -4.201431\n4.201431 -4.201431 0.000000\nBa Na Pr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Fe\n0.776663 0.223337 0.223337 O\n0.223337 0.776663 0.776663 O\n0.776663 0.223337 0.776663 O\n0.223337 0.776663 0.223337 O\n0.776663 0.776663 0.223337 O\n0.223337 0.223337 0.776663 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Pr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Na-O-Pr",
"density": 5.072110355697168,
"density_atomic": 0.06741837769037384,
"volume": 148.32750864943793,
"volume_molar": 8.932491356670328,
"formula_full": "Ba1 Na1 Pr1 Fe1 O6",
"formula_reduced": "BaNaPrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.77695898,
"energy_per_atom": -6.777695898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.39895898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 216
},
{
"id": "mp-1519362",
"created_at": "2022-09-04T14:41:11.460675Z",
"structure_string": "Eu1 Hf1 Cr1 Bi1 O6\n1.0\n0.000000 -4.022308 -4.022308\n4.022308 0.000000 -4.022308\n4.022308 -4.022308 -0.000000\nEu Hf Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n-0.000000 0.000000 -0.000000 Cr\n0.750000 0.750000 0.750000 Bi\n0.754698 0.245302 0.245302 O\n0.245302 0.754698 0.754698 O\n0.754698 0.245302 0.754698 O\n0.245302 0.754698 0.245302 O\n0.754698 0.754698 0.245302 O\n0.245302 0.245302 0.754698 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Hf",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Eu-Hf-O",
"density": 8.770405152959485,
"density_atomic": 0.0768323357314118,
"volume": 130.15353372774848,
"volume_molar": 7.838029005199089,
"formula_full": "Eu1 Hf1 Cr1 Bi1 O6",
"formula_reduced": "EuHfCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -91.06857579,
"energy_per_atom": -9.106857579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.94757579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.8614031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.697000Z",
"spacegroup": 216
},
{
"id": "mp-1519688",
"created_at": "2022-09-04T14:41:03.798112Z",
"structure_string": "Ba1 Ca1 Nd1 Nb1 O6\n1.0\n0.000000 -4.318595 -4.318595\n4.318595 -0.000000 -4.318595\n4.318595 -4.318595 -0.000000\nBa Ca Nd Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nb\n0.767114 0.232886 0.232886 O\n0.232886 0.767114 0.767114 O\n0.767114 0.232886 0.767114 O\n0.232886 0.767114 0.232886 O\n0.767114 0.767114 0.232886 O\n0.232886 0.232886 0.767114 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Nb-Nd-O",
"density": 5.262956280987621,
"density_atomic": 0.06207869396944294,
"volume": 161.085863129181,
"volume_molar": 9.70081742210022,
"formula_full": "Ba1 Ca1 Nd1 Nb1 O6",
"formula_reduced": "BaCaNdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.84633554999999,
"energy_per_atom": -8.084633555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.72433555,
"band_gap": 2.8393,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.499000Z",
"spacegroup": 216
},
{
"id": "mp-1520565",
"created_at": "2022-09-04T14:41:04.705770Z",
"structure_string": "Ba2 Sr2 Tb2 Ce2 O12\n1.0\n6.153600 0.004843 -0.000843\n0.004088 6.242850 0.003675\n-0.001465 0.004697 8.745147\nBa Sr Tb Ce O\n2 2 2 2 12\ndirect\n0.508863 0.534993 0.249936 Ba\n0.491137 0.465007 0.750065 Ba\n0.989007 0.040325 0.250411 Sr\n0.010993 0.959675 0.749589 Sr\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.204115 0.208861 0.947187 O\n0.290959 0.715078 0.543572 O\n0.795885 0.791139 0.052813 O\n0.709041 0.284922 0.456428 O\n0.286818 0.709648 0.958112 O\n0.208069 0.204458 0.551916 O\n0.713182 0.290352 0.041888 O\n0.791931 0.795542 0.448084 O\n0.400756 0.982900 0.251987 O\n0.077257 0.454855 0.248187 O\n0.599244 0.017100 0.748013 O\n0.922743 0.545145 0.751813 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Tb",
"density": 6.128881079997296,
"density_atomic": 0.05953208458401516,
"volume": 335.95329543306735,
"volume_molar": 10.115790169418982,
"formula_full": "Ba2 Sr2 Tb2 Ce2 O12",
"formula_reduced": "BaSrTbCeO6",
"formula_anonymous": "ABCDE6",
"energy": -155.08735449,
"energy_per_atom": -7.7543677245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.84335449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.272000Z",
"spacegroup": 2
},
{
"id": "mp-1521465",
"created_at": "2022-09-04T14:41:02.373313Z",
"structure_string": "Ba1 Sr1 V1 Bi1 O6\n1.0\n0.000000 -4.215474 -4.215474\n4.215474 0.000000 -4.215474\n4.215474 -4.215474 -0.000000\nBa Sr V Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 V\n-0.000000 0.000000 -0.000000 Bi\n0.726627 0.273373 0.273373 O\n0.273373 0.726627 0.726627 O\n0.726627 0.273373 0.726627 O\n0.273373 0.726627 0.273373 O\n0.726627 0.726627 0.273373 O\n0.273373 0.273373 0.726627 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"V",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Sr-V",
"density": 6.43806400375878,
"density_atomic": 0.0667468476184116,
"volume": 149.81980957616906,
"volume_molar": 9.02235981904086,
"formula_full": "Ba1 Sr1 V1 Bi1 O6",
"formula_reduced": "BaSrVBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.47863841,
"energy_per_atom": -7.147863841,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.65663841,
"band_gap": 0.9855999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.044000Z",
"spacegroup": 216
},
{
"id": "mp-1516558",
"created_at": "2022-09-04T14:41:10.374348Z",
"structure_string": "Ba1 Sr1 In1 Bi1 O6\n1.0\n0.000000 -4.264702 -4.264702\n4.264702 -0.000000 -4.264702\n4.264702 -4.264702 0.000000\nBa Sr In Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 In\n-0.000000 0.000000 0.000000 Bi\n0.751848 0.248152 0.248152 O\n0.248152 0.751848 0.751848 O\n0.751848 0.248152 0.751848 O\n0.248152 0.751848 0.248152 O\n0.751848 0.751848 0.248152 O\n0.248152 0.248152 0.751848 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-In-O-Sr",
"density": 6.90142638155159,
"density_atomic": 0.0644620236020743,
"volume": 155.1300974001414,
"volume_molar": 9.342152826561616,
"formula_full": "Ba1 Sr1 In1 Bi1 O6",
"formula_reduced": "BaSrInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -62.49878770000001,
"energy_per_atom": -6.2498787700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.3767877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.576000Z",
"spacegroup": 216
}
]
}