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=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12175",
"results": [
{
"id": "mp-1520798",
"created_at": "2022-09-04T14:46:54.204146Z",
"structure_string": "Ba2 Sr2 Eu2 W2 O12\n1.0\n6.032148 0.026680 -0.034643\n0.019845 6.126655 0.076362\n-0.061008 0.095060 8.586809\nBa Sr Eu W O\n2 2 2 2 12\ndirect\n0.992672 0.040288 0.248452 Ba\n0.007328 0.959712 0.751548 Ba\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.511018 0.550589 0.246535 Eu\n0.488982 0.449411 0.753465 Eu\n0.500000 -0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.237432 0.184021 0.959154 O\n0.262057 0.674038 0.556323 O\n0.762568 0.815979 0.040846 O\n0.737943 0.325962 0.443677 O\n0.335004 0.730766 0.948123 O\n0.177725 0.237260 0.550130 O\n0.664996 0.269234 0.051877 O\n0.822275 0.762740 0.449870 O\n0.423750 0.952884 0.220500 O\n0.106935 0.487178 0.282877 O\n0.576250 0.047116 0.779500 O\n0.893065 0.512822 0.717123 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sr-W",
"density": 6.874393268204638,
"density_atomic": 0.06303574847046402,
"volume": 317.2802811942684,
"volume_molar": 9.553532568621327,
"formula_full": "Ba2 Sr2 Eu2 W2 O12",
"formula_reduced": "BaSrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -172.02169451,
"energy_per_atom": -8.6010847255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.90169451,
"band_gap": 0.2515,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.254000Z",
"spacegroup": 2
},
{
"id": "mp-1519369",
"created_at": "2022-09-04T14:47:05.121071Z",
"structure_string": "Ca1 Eu1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.009733 -4.009733\n4.009733 -0.000000 -4.009733\n4.009733 -4.009733 0.000000\nCa Eu Zr Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Cr\n0.757854 0.242146 0.242146 O\n0.242146 0.757854 0.757854 O\n0.757854 0.242146 0.757854 O\n0.242146 0.757854 0.242146 O\n0.757854 0.757854 0.242146 O\n0.242146 0.242146 0.757854 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Eu-O-Zr",
"density": 5.554057932620448,
"density_atomic": 0.07755747114780023,
"volume": 128.93664339497525,
"volume_molar": 7.7647461564646525,
"formula_full": "Ca1 Eu1 Zr1 Cr1 O6",
"formula_reduced": "CaEuZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -91.06301145,
"energy_per_atom": -9.106301145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.94201145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.281000Z",
"spacegroup": 216
},
{
"id": "mp-1520283",
"created_at": "2022-09-04T14:46:58.670884Z",
"structure_string": "K1 Sm1 Eu1 Sb1 O6\n1.0\n0.000000 -4.260573 -4.260573\n4.260573 -0.000000 -4.260573\n4.260573 -4.260573 0.000000\nK Sm Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Sb\n0.765983 0.234017 0.234017 O\n0.234017 0.765983 0.765983 O\n0.765983 0.234017 0.765983 O\n0.234017 0.765983 0.234017 O\n0.765983 0.765983 0.234017 O\n0.234017 0.234017 0.765983 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-O-Sb-Sm",
"density": 6.002963315591658,
"density_atomic": 0.06464961930077483,
"volume": 154.6799518412655,
"volume_molar": 9.31504442738122,
"formula_full": "K1 Sm1 Eu1 Sb1 O6",
"formula_reduced": "KSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.23357642,
"energy_per_atom": -7.623357642,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.11157642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.126000Z",
"spacegroup": 216
},
{
"id": "mp-1520878",
"created_at": "2022-09-04T14:47:04.918250Z",
"structure_string": "K1 Sr1 Sm1 Mn1 O6\n1.0\n0.000000 -4.186217 -4.186217\n4.186217 0.000000 -4.186217\n4.186217 -4.186217 0.000000\nK Sr Sm Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.772095 0.227905 0.227905 O\n0.227905 0.772095 0.772095 O\n0.772095 0.227905 0.772095 O\n0.227905 0.772095 0.227905 O\n0.772095 0.772095 0.227905 O\n0.227905 0.227905 0.772095 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Sm",
"Mn",
"O"
],
"chemical_system": "K-Mn-O-Sm-Sr",
"density": 4.844072026250785,
"density_atomic": 0.06815610970589615,
"volume": 146.72198931469975,
"volume_molar": 8.835804722403378,
"formula_full": "K1 Sr1 Sm1 Mn1 O6",
"formula_reduced": "KSrSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.9543043,
"energy_per_atom": -6.995430430000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.1643043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.243000Z",
"spacegroup": 216
},
{
"id": "mp-1518724",
"created_at": "2022-09-04T14:46:58.864402Z",
"structure_string": "Ba1 Gd1 Cr1 Fe1 O6\n1.0\n-0.000000 -4.144992 -4.144992\n4.144992 0.000000 -4.144992\n4.144992 -4.144992 -0.000000\nBa Gd Cr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Gd\n-0.000000 0.000000 -0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.760389 0.239611 0.239611 O\n0.239611 0.760389 0.760389 O\n0.760389 0.239611 0.760389 O\n0.239611 0.760389 0.239611 O\n0.760389 0.760389 0.239611 O\n0.239611 0.239611 0.760389 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Gd",
"Cr",
"Fe",
"O"
],
"chemical_system": "Ba-Cr-Fe-Gd-O",
"density": 5.8108368260131495,
"density_atomic": 0.07020999050335792,
"volume": 142.4298725623917,
"volume_molar": 8.577327409995847,
"formula_full": "Ba1 Gd1 Cr1 Fe1 O6",
"formula_reduced": "BaGdCrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -115.3416078,
"energy_per_atom": -11.53416078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.96460779999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.6463861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.263000Z",
"spacegroup": 216
},
{
"id": "mp-1519370",
"created_at": "2022-09-04T14:46:54.239782Z",
"structure_string": "Sr1 Ca1 Zr1 V1 O6\n1.0\n0.000000 -4.021192 -4.021192\n4.021192 -0.000000 -4.021192\n4.021192 -4.021192 0.000000\nSr Ca Zr V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.740863 0.259137 0.259137 O\n0.259137 0.740863 0.740863 O\n0.740863 0.259137 0.740863 O\n0.259137 0.740863 0.259137 O\n0.740863 0.740863 0.259137 O\n0.259137 0.259137 0.740863 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Zr",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-V-Zr",
"density": 4.671641238947548,
"density_atomic": 0.07689632323981171,
"volume": 130.04522945542703,
"volume_molar": 7.831506769470798,
"formula_full": "Sr1 Ca1 Zr1 V1 O6",
"formula_reduced": "SrCaZrVO6",
"formula_anonymous": "ABCDE6",
"energy": -82.82097499,
"energy_per_atom": -8.282097498999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.99897499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.321000Z",
"spacegroup": 216
},
{
"id": "mp-1518026",
"created_at": "2022-09-04T14:47:05.008605Z",
"structure_string": "Pr1 Eu1 Zr1 V1 O6\n1.0\n0.000000 -4.061377 -4.061377\n4.061377 0.000000 -4.061377\n4.061377 -4.061377 0.000000\nPr Eu Zr V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.745066 0.254934 0.254934 O\n0.254934 0.745066 0.745066 O\n0.745066 0.254934 0.745066 O\n0.254934 0.745066 0.254934 O\n0.745066 0.745066 0.254934 O\n0.254934 0.254934 0.745066 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Zr",
"V",
"O"
],
"chemical_system": "Eu-O-Pr-V-Zr",
"density": 6.581443340287954,
"density_atomic": 0.07463629786267824,
"volume": 133.9830656981244,
"volume_molar": 8.068648810904328,
"formula_full": "Pr1 Eu1 Zr1 V1 O6",
"formula_reduced": "PrEuZrVO6",
"formula_anonymous": "ABCDE6",
"energy": -94.71437848,
"energy_per_atom": -9.471437847999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.89237848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0055998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.719000Z",
"spacegroup": 216
},
{
"id": "mp-1519269",
"created_at": "2022-09-04T14:42:50.370332Z",
"structure_string": "Ba2 Sr2 Nd2 Bi2 O12\n1.0\n6.154814 0.000826 0.012999\n0.004695 6.228917 -0.012339\n0.024070 -0.012252 8.750889\nBa Sr Nd Bi O\n2 2 2 2 12\ndirect\n0.993384 0.031824 0.249917 Ba\n0.006616 0.968176 0.750083 Ba\n0.509239 0.539245 0.251497 Sr\n0.490761 0.460755 0.748503 Sr\n0.500000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.200071 0.223379 0.957223 O\n0.307468 0.717125 0.549018 O\n0.799929 0.776621 0.042777 O\n0.692532 0.282875 0.450982 O\n0.279823 0.697511 0.949651 O\n0.222725 0.202541 0.537413 O\n0.720177 0.302489 0.050349 O\n0.777275 0.797459 0.462587 O\n0.426994 0.956890 0.261410 O\n0.094774 0.485043 0.237844 O\n0.573006 0.043110 0.738590 O\n0.905226 0.514957 0.762156 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nd-O-Sr",
"density": 6.673749955985344,
"density_atomic": 0.059614803429477496,
"volume": 335.4871416066882,
"volume_molar": 10.101753949627646,
"formula_full": "Ba2 Sr2 Nd2 Bi2 O12",
"formula_reduced": "BaSrNdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -139.17692532,
"energy_per_atom": -6.958846266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.93292532,
"band_gap": 1.7161,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.109000Z",
"spacegroup": 2
},
{
"id": "mp-1517474",
"created_at": "2022-09-04T14:42:47.102768Z",
"structure_string": "Nd1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.008463 -4.008463\n4.008463 -0.000000 -4.008463\n4.008463 -4.008463 0.000000\nNd Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.746239 0.253761 0.253761 O\n0.253761 0.746239 0.746239 O\n0.746239 0.253761 0.746239 O\n0.253761 0.746239 0.253761 O\n0.746239 0.746239 0.253761 O\n0.253761 0.253761 0.746239 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Nd",
"Eu",
"Ti",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-Nd-O-Ti",
"density": 6.870572678130837,
"density_atomic": 0.07763121202958338,
"volume": 128.8141681491362,
"volume_molar": 7.7573705247640685,
"formula_full": "Nd1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "NdEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -95.42188242,
"energy_per_atom": -9.542188242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.29988242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2243308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.327000Z",
"spacegroup": 216
},
{
"id": "mp-1522736",
"created_at": "2022-09-04T14:42:49.053335Z",
"structure_string": "K1 Sr1 Eu1 Se1 O6\n1.0\n0.000000 -4.120790 -4.120790\n4.120790 0.000000 -4.120790\n4.120790 -4.120790 -0.000000\nK Sr Eu Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Se\n0.722036 0.277964 0.277964 O\n0.277964 0.722036 0.722036 O\n0.722036 0.277964 0.722036 O\n0.277964 0.722036 0.277964 O\n0.722036 0.722036 0.277964 O\n0.277964 0.277964 0.722036 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Eu",
"Se",
"O"
],
"chemical_system": "Eu-K-O-Se-Sr",
"density": 5.382546000801364,
"density_atomic": 0.07145433067152919,
"volume": 139.94953008473811,
"volume_molar": 8.427957694661476,
"formula_full": "K1 Sr1 Eu1 Se1 O6",
"formula_reduced": "KSrEuSeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.61240933,
"energy_per_atom": -6.861240933,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.49040933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.567000Z",
"spacegroup": 216
},
{
"id": "mp-1517712",
"created_at": "2022-09-04T14:42:46.292327Z",
"structure_string": "Sr1 Ca1 Tb1 V1 O6\n1.0\n0.000000 -4.102979 -4.102979\n4.102979 -0.000000 -4.102979\n4.102979 -4.102979 0.000000\nSr Ca Tb V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 V\n0.730716 0.269284 0.269284 O\n0.269284 0.730716 0.730716 O\n0.730716 0.269284 0.730716 O\n0.269284 0.730716 0.269284 O\n0.730716 0.730716 0.269284 O\n0.269284 0.269284 0.730716 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-Tb-V",
"density": 5.211607244075198,
"density_atomic": 0.07238892410357824,
"volume": 138.14268030412256,
"volume_molar": 8.319146657551057,
"formula_full": "Sr1 Ca1 Tb1 V1 O6",
"formula_reduced": "SrCaTbVO6",
"formula_anonymous": "ABCDE6",
"energy": -77.94771857,
"energy_per_atom": -7.794771857000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.12571857,
"band_gap": 1.6166999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.840000Z",
"spacegroup": 216
},
{
"id": "mp-1518485",
"created_at": "2022-09-04T14:42:47.107791Z",
"structure_string": "Ba1 Eu1 Nb1 Bi1 O6\n1.0\n-0.000000 -4.329843 -4.329843\n4.329843 -0.000000 -4.329843\n4.329843 -4.329843 -0.000000\nBa Eu Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n0.732414 0.267586 0.267586 O\n0.267586 0.732414 0.732414 O\n0.732414 0.267586 0.732414 O\n0.267586 0.732414 0.267586 O\n0.732414 0.732414 0.267586 O\n0.267586 0.267586 0.732414 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-Nb-O",
"density": 7.0286106669497,
"density_atomic": 0.061596148444104784,
"volume": 162.3478131765733,
"volume_molar": 9.776813830275072,
"formula_full": "Ba1 Eu1 Nb1 Bi1 O6",
"formula_reduced": "BaEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -83.30407044,
"energy_per_atom": -8.330407044000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.18207044,
"band_gap": 0.8959000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.236000Z",
"spacegroup": 216
}
]
}