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_full&page=11510",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=11508",
"results": [
{
"id": "mp-1046020",
"created_at": "2022-09-04T14:42:00.639998Z",
"structure_string": "Ba2 Y1 Ti2 Tl1 O7\n1.0\n3.954180 0.000000 0.000000\n0.000000 3.954180 0.000000\n0.000000 0.000000 13.215202\nBa Y Ti Tl O\n2 1 2 1 7\ndirect\n0.000000 0.000000 0.193805 Ba\n0.000000 0.000000 0.806195 Ba\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.367424 Ti\n0.500000 0.500000 0.632576 Ti\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.223179 O\n0.500000 0.000000 0.388842 O\n0.000000 0.500000 0.388842 O\n0.000000 0.500000 0.611158 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.611158 O\n0.500000 0.500000 0.776821 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl-Y",
"density": 6.233630673356379,
"density_atomic": 0.06291535857465733,
"volume": 206.6268125067394,
"volume_molar": 9.571813459274717,
"formula_full": "Ba2 Y1 Ti2 Tl1 O7",
"formula_reduced": "Ba2YTi2TlO7",
"formula_anonymous": "ABC2D2E7",
"energy": -102.24847874,
"energy_per_atom": -7.865267595384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.43947874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.476000Z",
"spacegroup": 123
},
{
"id": "mp-6613",
"created_at": "2022-09-04T14:42:28.298939Z",
"structure_string": "Ba2 Y1 Ta1 O6\n1.0\n0.000000 4.272306 4.272306\n4.272306 0.000000 4.272306\n4.272306 4.272306 0.000000\nBa Y Ta 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 Y\n0.500000 0.500000 0.500000 Ta\n0.735641 0.264359 0.735641 O\n0.264359 0.264359 0.735641 O\n0.735641 0.735641 0.264359 O\n0.735641 0.264359 0.264359 O\n0.264359 0.735641 0.264359 O\n0.264359 0.735641 0.735641 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Y",
"density": 6.819522757447047,
"density_atomic": 0.06411844054083106,
"volume": 155.9613726667593,
"volume_molar": 9.39221339322041,
"formula_full": "Ba2 Y1 Ta1 O6",
"formula_reduced": "Ba2YTaO6",
"formula_anonymous": "ABC2D6",
"energy": -87.56019218,
"energy_per_atom": -8.756019218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.43819218,
"band_gap": 3.362,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.293000Z",
"spacegroup": 225
},
{
"id": "mp-12385",
"created_at": "2022-09-04T14:45:02.782868Z",
"structure_string": "Ba2 Y1 Ta1 O6\n1.0\n-3.012732 3.012732 4.283243\n3.012732 -3.012732 4.283243\n3.012732 3.012732 -4.283243\nBa Y Ta O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Ta\n0.708989 0.761405 0.470394 O\n0.761405 0.291011 0.052416 O\n0.238595 0.708989 0.947584 O\n0.291011 0.238595 0.529606 O\n0.264498 0.264498 0.000000 O\n0.735502 0.735502 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Y",
"density": 6.839389322384703,
"density_atomic": 0.0643052297353263,
"volume": 155.50834731730168,
"volume_molar": 9.36493156899759,
"formula_full": "Ba2 Y1 Ta1 O6",
"formula_reduced": "Ba2YTaO6",
"formula_anonymous": "ABC2D6",
"energy": -87.57613716,
"energy_per_atom": -8.757613716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.45413715999999,
"band_gap": 3.4629,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.519000Z",
"spacegroup": 87
},
{
"id": "mp-1047749",
"created_at": "2022-09-04T14:43:54.183601Z",
"structure_string": "Ba2 Y1 Sn3 O8\n1.0\n4.303676 0.000000 0.000000\n0.000000 4.303676 0.000000\n0.000000 0.000000 11.726682\nBa Y Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.170155 Ba\n0.500000 0.500000 0.829845 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.365802 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.634198 Sn\n0.000000 0.500000 0.374262 O\n0.500000 0.000000 0.374262 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.185910 O\n0.000000 0.500000 0.625738 O\n0.500000 0.000000 0.625738 O\n0.000000 0.000000 0.814090 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn-Y",
"density": 6.480810705667647,
"density_atomic": 0.06445754357789608,
"volume": 217.19723127644767,
"volume_molar": 9.342802138778875,
"formula_full": "Ba2 Y1 Sn3 O8",
"formula_reduced": "Ba2YSn3O8",
"formula_anonymous": "AB2C3D8",
"energy": -96.68360016,
"energy_per_atom": -6.90597144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.18760016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0335931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.123000Z",
"spacegroup": 123
},
{
"id": "mp-1048035",
"created_at": "2022-09-04T14:47:03.501817Z",
"structure_string": "Ba2 Y1 Sn3 O7\n1.0\n4.190736 0.000000 0.000000\n0.000000 4.383409 0.000000\n0.000000 0.000000 11.997302\nBa Y Sn O\n2 1 3 7\ndirect\n0.500000 0.500000 0.327223 Ba\n0.500000 0.500000 0.672777 Ba\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.132356 Sn\n0.000000 0.000000 0.867644 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.121616 O\n0.500000 0.000000 0.878384 O\n0.000000 0.500000 0.123256 O\n0.000000 0.500000 0.876744 O\n0.000000 0.000000 0.305427 O\n0.000000 0.000000 0.694573 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn-Y",
"density": 6.266462089255431,
"density_atomic": 0.05898715676561634,
"volume": 220.38695731098045,
"volume_molar": 10.209240604575657,
"formula_full": "Ba2 Y1 Sn3 O7",
"formula_reduced": "Ba2YSn3O7",
"formula_anonymous": "AB2C3D7",
"energy": -87.32679661,
"energy_per_atom": -6.717445893076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.51779661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0436547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.069000Z",
"spacegroup": 47
},
{
"id": "mp-1395169",
"created_at": "2022-09-04T14:40:22.821928Z",
"structure_string": "Ba2 Y1 Sb3 O8\n1.0\n4.371254 0.000000 0.000000\n0.000000 4.371254 0.000000\n0.000000 0.000000 12.149887\nBa Y Sb O\n2 1 3 8\ndirect\n0.500000 0.500000 0.163982 Ba\n0.500000 0.500000 0.836018 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.361529 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.638471 Sb\n0.000000 0.500000 0.382477 O\n0.500000 0.000000 0.382477 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.189863 O\n0.000000 0.500000 0.617523 O\n0.500000 0.000000 0.617523 O\n0.000000 0.000000 0.810137 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Y",
"density": 6.128610159757175,
"density_atomic": 0.06030366554352493,
"volume": 232.15835843171627,
"volume_molar": 9.986359379188057,
"formula_full": "Ba2 Y1 Sb3 O8",
"formula_reduced": "Ba2YSb3O8",
"formula_anonymous": "AB2C3D8",
"energy": -95.00887489,
"energy_per_atom": -6.786348206428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.51287489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.176000Z",
"spacegroup": 123
},
{
"id": "mp-14226",
"created_at": "2022-09-04T14:39:18.111274Z",
"structure_string": "Ba2 Y1 Sb1 O6\n1.0\n0.000000 4.684588 4.684588\n4.684588 0.000000 4.684588\n4.684588 4.684588 0.000000\nBa Y Sb 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 Y\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Y",
"density": 4.694802858661442,
"density_atomic": 0.048635770400500676,
"volume": 205.60998453716394,
"volume_molar": 12.382122685442248,
"formula_full": "Ba2 Y1 Sb1 O6",
"formula_reduced": "Ba2YSbO6",
"formula_anonymous": "ABC2D6",
"energy": -54.14525812,
"energy_per_atom": -5.414525812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.02325812000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2729607,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.261000Z",
"spacegroup": 225
},
{
"id": "mp-6492",
"created_at": "2022-09-04T14:45:24.129202Z",
"structure_string": "Ba2 Y1 Sb1 O6\n1.0\n0.000000 4.265172 4.265172\n4.265172 0.000000 4.265172\n4.265172 4.265172 0.000000\nBa Y Sb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Sb\n0.736567 0.263433 0.736567 O\n0.263433 0.263433 0.736567 O\n0.736567 0.736567 0.263433 O\n0.736567 0.263433 0.263433 O\n0.263433 0.736567 0.263433 O\n0.263433 0.736567 0.736567 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Y",
"density": 6.220451619537228,
"density_atomic": 0.06444071580068282,
"volume": 155.1813923192647,
"volume_molar": 9.345241878793948,
"formula_full": "Ba2 Y1 Sb1 O6",
"formula_reduced": "Ba2YSbO6",
"formula_anonymous": "ABC2D6",
"energy": -74.92318163,
"energy_per_atom": -7.492318163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.80118163,
"band_gap": 3.5377,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.065000Z",
"spacegroup": 225
},
{
"id": "mp-6428",
"created_at": "2022-09-04T14:40:39.186285Z",
"structure_string": "Ba2 Y1 Ru1 O6\n1.0\n0.000000 4.226901 4.226901\n4.226901 0.000000 4.226901\n4.226901 4.226901 0.000000\nBa Y 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 Y\n0.500000 0.500000 0.500000 Ru\n0.734858 0.734858 0.265142 O\n0.734858 0.265142 0.734858 O\n0.265142 0.734858 0.265142 O\n0.734858 0.265142 0.265142 O\n0.265142 0.265142 0.734858 O\n0.265142 0.734858 0.734858 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Y",
"density": 6.163484413328773,
"density_atomic": 0.0662069796445651,
"volume": 151.041477102345,
"volume_molar": 9.095930357086385,
"formula_full": "Ba2 Y1 Ru1 O6",
"formula_reduced": "Ba2YRuO6",
"formula_anonymous": "ABC2D6",
"energy": -77.6203541,
"energy_per_atom": -7.76203541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.4983541,
"band_gap": 0.0903,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0002985,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.793000Z",
"spacegroup": 225
},
{
"id": "mp-6430",
"created_at": "2022-09-04T14:39:10.560327Z",
"structure_string": "Ba2 Y1 Re1 O6\n1.0\n0.000000 4.239217 4.239217\n4.239217 0.000000 4.239217\n4.239217 4.239217 0.000000\nBa Y Re 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 Y\n0.000000 0.000000 0.000000 Re\n0.765566 0.765566 0.234434 O\n0.765566 0.234434 0.765566 O\n0.234434 0.234434 0.765566 O\n0.234434 0.765566 0.765566 O\n0.765566 0.234434 0.234434 O\n0.234434 0.765566 0.234434 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Y",
"density": 7.037776705493275,
"density_atomic": 0.06563161030389396,
"volume": 152.36560483122406,
"volume_molar": 9.175671192761675,
"formula_full": "Ba2 Y1 Re1 O6",
"formula_reduced": "Ba2YReO6",
"formula_anonymous": "ABC2D6",
"energy": -82.74656144,
"energy_per_atom": -8.274656144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.62456144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.965000Z",
"spacegroup": 225
},
{
"id": "mp-1205895",
"created_at": "2022-09-04T14:46:54.442976Z",
"structure_string": "Ba2 Y1 Pa1 O6\n1.0\n-4.435400 -4.435400 0.000000\n-4.435400 0.000000 -4.435400\n0.000000 -4.435400 -4.435400\nBa Y 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 Y\n0.000000 0.000000 0.000000 Pa\n0.754357 0.754357 0.245643 O\n0.245643 0.245643 0.754357 O\n0.754357 0.245643 0.754357 O\n0.245643 0.754357 0.245643 O\n0.245643 0.754357 0.754357 O\n0.754357 0.245643 0.245643 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Pa",
"O"
],
"chemical_system": "Ba-O-Pa-Y",
"density": 6.571164665015788,
"density_atomic": 0.05730224377671192,
"volume": 174.51323614772792,
"volume_molar": 10.509432725647379,
"formula_full": "Ba2 Y1 Pa1 O6",
"formula_reduced": "Ba2YPaO6",
"formula_anonymous": "ABC2D6",
"energy": -86.86627264,
"energy_per_atom": -8.686627264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.74427263999999,
"band_gap": 3.4919999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.183000Z",
"spacegroup": 225
},
{
"id": "mp-1078303",
"created_at": "2022-09-04T14:45:21.382080Z",
"structure_string": "Ba2 Y1 Os1 O6\n1.0\n0.000000 4.233690 4.233690\n4.233690 0.000000 4.233690\n4.233690 4.233690 0.000000\nBa Y Os 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 Y\n0.000000 0.000000 0.000000 Os\n0.765022 0.765022 0.234978 O\n0.234978 0.765022 0.234978 O\n0.765022 0.234978 0.234978 O\n0.234978 0.234978 0.765022 O\n0.765022 0.234978 0.765022 O\n0.234978 0.765022 0.765022 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Os",
"O"
],
"chemical_system": "Ba-O-Os-Y",
"density": 7.109391887792084,
"density_atomic": 0.0658889883882301,
"volume": 151.77042848310484,
"volume_molar": 9.139828835307705,
"formula_full": "Ba2 Y1 Os1 O6",
"formula_reduced": "Ba2YOsO6",
"formula_anonymous": "ABC2D6",
"energy": -79.88923188,
"energy_per_atom": -7.988923187999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.76723188,
"band_gap": 0.0550999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9981856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.536000Z",
"spacegroup": 225
}
]
}