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=-structure_string&page=11562",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=11560",
"results": [
{
"id": "mp-6692",
"created_at": "2022-09-04T14:42:25.046712Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.299834 -3.084175 0.000000\n5.299834 3.084175 0.000000\n3.505035 0.000000 5.031412\nBa Pr Sb O\n2 1 1 6\ndirect\n0.251314 0.251314 0.251314 Ba\n0.748686 0.748686 0.748686 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.313285 0.728139 0.225194 O\n0.728139 0.225194 0.313285 O\n0.225194 0.313285 0.728139 O\n0.686715 0.271861 0.774806 O\n0.774806 0.686715 0.271861 O\n0.271861 0.774806 0.686715 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb",
"density": 6.393663963661041,
"density_atomic": 0.060796537181614076,
"volume": 164.4830522193651,
"volume_molar": 9.905400930994471,
"formula_full": "Ba2 Pr1 Sb1 O6",
"formula_reduced": "Ba2PrSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.39475308,
"energy_per_atom": -7.239475308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.27275308,
"band_gap": 3.712,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.61e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.968000Z",
"spacegroup": 148
},
{
"id": "mp-10731",
"created_at": "2022-09-04T14:40:58.120844Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n0.000000 4.356163 4.356163\n4.356163 0.000000 4.356163\n4.356163 4.356163 0.000000\nBa Pr Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sb\n0.768551 0.231449 0.768551 O\n0.231449 0.231449 0.768551 O\n0.768551 0.768551 0.231449 O\n0.768551 0.231449 0.231449 O\n0.231449 0.768551 0.231449 O\n0.231449 0.768551 0.768551 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb",
"density": 6.361046962561844,
"density_atomic": 0.060486386267935996,
"volume": 165.32645801822397,
"volume_molar": 9.956192015379754,
"formula_full": "Ba2 Pr1 Sb1 O6",
"formula_reduced": "Ba2PrSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.33027661,
"energy_per_atom": -7.2330276609999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.20827661,
"band_gap": 3.684,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.346000Z",
"spacegroup": 225
},
{
"id": "mp-6183",
"created_at": "2022-09-04T14:42:26.171739Z",
"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n3.037131 5.263603 0.000000\n-3.037131 5.263603 0.000000\n0.000000 3.536453 5.003675\nBa Pr Ru O\n2 1 1 6\ndirect\n0.748232 0.748232 0.254858 Ba\n0.251768 0.251768 0.745142 Ba\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Ru\n0.228471 0.228471 0.222440 O\n0.771529 0.771529 0.777560 O\n0.256695 0.795324 0.701572 O\n0.204676 0.743305 0.298428 O\n0.743305 0.204676 0.298428 O\n0.795324 0.256695 0.701572 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Pr-Ru",
"density": 6.358874233007486,
"density_atomic": 0.0625078066855439,
"volume": 159.980017380976,
"volume_molar": 9.63422183455484,
"formula_full": "Ba2 Pr1 Ru1 O6",
"formula_reduced": "Ba2PrRuO6",
"formula_anonymous": "ABC2D6",
"energy": -75.00949873,
"energy_per_atom": -7.500949873000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.88749873,
"band_gap": 0.1636000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0010484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.549000Z",
"spacegroup": 12
},
{
"id": "mp-12912",
"created_at": "2022-09-04T14:40:00.358207Z",
"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n0.000000 4.315660 4.315660\n4.315660 0.000000 4.315660\n4.315660 4.315660 0.000000\nBa Pr Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ru\n0.729478 0.729478 0.270523 O\n0.729477 0.270522 0.729478 O\n0.270522 0.729478 0.270523 O\n0.729478 0.270522 0.270522 O\n0.270522 0.270522 0.729478 O\n0.270522 0.729478 0.729478 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Pr-Ru",
"density": 6.328114261881767,
"density_atomic": 0.06220543581637355,
"volume": 160.75765515925903,
"volume_molar": 9.68105227616598,
"formula_full": "Ba2 Pr1 Ru1 O6",
"formula_reduced": "Ba2PrRuO6",
"formula_anonymous": "ABC2D6",
"energy": -74.96035175,
"energy_per_atom": -7.496035175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.83835175,
"band_gap": 0.1345,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0003193,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.968000Z",
"spacegroup": 225
},
{
"id": "mp-9319",
"created_at": "2022-09-04T14:42:43.997202Z",
"structure_string": "Ba2 Pr1 Pt1 O6\n1.0\n0.000000 4.319988 4.319988\n4.319988 0.000000 4.319988\n4.319988 4.319988 0.000000\nBa Pr Pt O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pt\n0.768209 0.768209 0.231791 O\n0.768209 0.231791 0.768209 O\n0.231791 0.768209 0.231791 O\n0.768209 0.231791 0.231791 O\n0.231791 0.231791 0.768209 O\n0.231791 0.768209 0.768209 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pt",
"O"
],
"chemical_system": "Ba-O-Pr-Pt",
"density": 7.277311380070481,
"density_atomic": 0.06201866065043721,
"volume": 161.24179231093254,
"volume_molar": 9.710207696911215,
"formula_full": "Ba2 Pr1 Pt1 O6",
"formula_reduced": "Ba2PrPtO6",
"formula_anonymous": "ABC2D6",
"energy": -69.99019652,
"energy_per_atom": -6.999019651999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.86819652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0005586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.930000Z",
"spacegroup": 225
},
{
"id": "mp-1228494",
"created_at": "2022-09-04T14:44:52.888688Z",
"structure_string": "Ba2 Pr1 Pb1 O6\n1.0\n3.139971 5.459551 0.000000\n-3.139971 5.459551 0.000000\n0.000000 3.654977 5.199382\nBa Pr Pb O\n2 1 1 6\ndirect\n0.751503 0.751503 0.239805 Ba\n0.248497 0.248497 0.760195 Ba\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pb\n0.786000 0.300235 0.196991 O\n0.699765 0.214000 0.803009 O\n0.214000 0.699765 0.803009 O\n0.300235 0.786000 0.196991 O\n0.259162 0.259162 0.316530 O\n0.740838 0.740838 0.683470 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pb",
"O"
],
"chemical_system": "Ba-O-Pb-Pr",
"density": 6.6952613269575965,
"density_atomic": 0.056096493319075444,
"volume": 178.26426231529751,
"volume_molar": 10.735324801402852,
"formula_full": "Ba2 Pr1 Pb1 O6",
"formula_reduced": "Ba2PrPbO6",
"formula_anonymous": "ABC2D6",
"energy": -67.61932378,
"energy_per_atom": -6.761932378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.49732378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9990715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.063000Z",
"spacegroup": 12
},
{
"id": "mp-1206062",
"created_at": "2022-09-04T14:41:11.601325Z",
"structure_string": "Ba2 Pr1 Pa1 O6\n1.0\n-4.535979 -4.535979 0.000000\n-4.535979 0.000000 -4.535979\n0.000000 -4.535979 -4.535979\nBa Pr Pa O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pa\n0.759636 0.759636 0.240364 O\n0.240364 0.240364 0.759636 O\n0.759636 0.240364 0.759636 O\n0.240364 0.759636 0.240364 O\n0.240364 0.759636 0.759636 O\n0.759636 0.240364 0.240364 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pa",
"O"
],
"chemical_system": "Ba-O-Pa-Pr",
"density": 6.606286299742013,
"density_atomic": 0.05357434851595737,
"volume": 186.65649283670624,
"volume_molar": 11.240716736305767,
"formula_full": "Ba2 Pr1 Pa1 O6",
"formula_reduced": "Ba2PrPaO6",
"formula_anonymous": "ABC2D6",
"energy": -84.0698442,
"energy_per_atom": -8.40698442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.9478442,
"band_gap": 3.4661000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.334000Z",
"spacegroup": 225
},
{
"id": "mp-552176",
"created_at": "2022-09-04T14:39:36.450086Z",
"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n5.295695 -3.093918 0.000000\n5.295695 3.093918 0.000000\n3.488127 0.000000 5.044769\nBa Pr Nb O\n2 1 1 6\ndirect\n0.749214 0.749214 0.749214 Ba\n0.250786 0.250786 0.250786 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nb\n0.212350 0.327654 0.726008 O\n0.726008 0.212350 0.327654 O\n0.327654 0.726008 0.212350 O\n0.787650 0.672346 0.273992 O\n0.672346 0.273992 0.787650 O\n0.273992 0.787650 0.672346 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr",
"density": 6.071790848333242,
"density_atomic": 0.06049186246836516,
"volume": 165.31149136348054,
"volume_molar": 9.955290702364044,
"formula_full": "Ba2 Pr1 Nb1 O6",
"formula_reduced": "Ba2PrNbO6",
"formula_anonymous": "ABC2D6",
"energy": -81.95902749,
"energy_per_atom": -8.195902749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.83702749,
"band_gap": 3.0394,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.07e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.038000Z",
"spacegroup": 148
},
{
"id": "mp-1228384",
"created_at": "2022-09-04T14:45:41.275511Z",
"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n0.000000 4.378114 4.378114\n4.378114 0.000000 4.378114\n4.378114 4.378114 0.000000\nBa Pr Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nb\n0.768725 0.231275 0.231275 O\n0.231275 0.768725 0.768725 O\n0.231275 0.231275 0.768725 O\n0.768725 0.768725 0.231275 O\n0.231275 0.768725 0.231275 O\n0.768725 0.231275 0.768725 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr",
"density": 5.980378260141183,
"density_atomic": 0.059581139775354536,
"volume": 167.8383467940379,
"volume_molar": 10.10746149319391,
"formula_full": "Ba2 Pr1 Nb1 O6",
"formula_reduced": "Ba2PrNbO6",
"formula_anonymous": "ABC2D6",
"energy": -81.7707647,
"energy_per_atom": -8.17707647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.6487647,
"band_gap": 2.8578,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.999000Z",
"spacegroup": 225
},
{
"id": "mp-6135",
"created_at": "2022-09-04T14:43:06.017601Z",
"structure_string": "Ba2 Pr1 Ir1 O6\n1.0\n0.000000 4.314672 4.314672\n4.314672 0.000000 4.314672\n4.314672 4.314672 0.000000\nBa Pr Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ir\n0.730017 0.269983 0.730017 O\n0.269983 0.269983 0.730017 O\n0.730017 0.730017 0.269983 O\n0.730017 0.269983 0.269983 O\n0.269983 0.730017 0.269983 O\n0.269983 0.730017 0.730017 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Pr",
"density": 7.274608219598918,
"density_atomic": 0.0622481781464362,
"volume": 160.64727190047915,
"volume_molar": 9.674404840946782,
"formula_full": "Ba2 Pr1 Ir1 O6",
"formula_reduced": "Ba2PrIrO6",
"formula_anonymous": "ABC2D6",
"energy": -73.88002786,
"energy_per_atom": -7.3880027859999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.75802786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.001361,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.762000Z",
"spacegroup": 225
},
{
"id": "mp-1520994",
"created_at": "2022-09-04T14:41:10.787695Z",
"structure_string": "Ba2 Pr1 Hf1 O6\n1.0\n-0.000000 -4.415601 -4.415601\n4.415601 -0.000000 -4.415601\n4.415601 -4.415601 0.000000\nBa Pr Hf O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.764628 0.235372 0.235372 O\n0.235372 0.764628 0.764628 O\n0.764628 0.235372 0.764628 O\n0.235372 0.764628 0.235372 O\n0.764628 0.764628 0.235372 O\n0.235372 0.235372 0.764628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O-Pr",
"density": 6.654707413455508,
"density_atomic": 0.058076513330186,
"volume": 172.1866452819986,
"volume_molar": 10.369322148803855,
"formula_full": "Ba2 Pr1 Hf1 O6",
"formula_reduced": "Ba2PrHfO6",
"formula_anonymous": "ABC2D6",
"energy": -81.68438,
"energy_per_atom": -8.168438,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.56238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.533000Z",
"spacegroup": 225
},
{
"id": "mp-676002",
"created_at": "2022-09-04T14:43:20.198939Z",
"structure_string": "Ba2 Pr1 F7\n1.0\n-4.395604 0.000000 0.000000\n-0.083360 -4.419106 0.000000\n1.924550 1.811111 9.451293\nBa Pr F\n2 1 7\ndirect\n0.997305 0.987182 0.992616 Ba\n0.651700 0.633069 0.317578 Ba\n0.399828 0.402965 0.675304 Pr\n0.215792 0.663944 0.486584 F\n0.581316 0.068485 0.161548 F\n0.085100 0.562419 0.157683 F\n0.523490 0.504884 0.928772 F\n0.429309 0.942367 0.763937 F\n0.933960 0.504163 0.761404 F\n0.688867 0.197190 0.497907 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Pr",
"F"
],
"chemical_system": "Ba-F-Pr",
"density": 4.961596984956542,
"density_atomic": 0.05446980168916466,
"volume": 183.58796415425977,
"volume_molar": 11.055925619787866,
"formula_full": "Ba2 Pr1 F7",
"formula_reduced": "Ba2PrF7",
"formula_anonymous": "AB2C7",
"energy": -64.18441114,
"energy_per_atom": -6.418441113999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.95041114,
"band_gap": 6.2167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.073000Z",
"spacegroup": 1
}
]
}