HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1567",
"results": [
{
"id": "jvasp-8425",
"created_at": "2022-09-04T14:37:00.828907Z",
"updated_at": "2022-09-04T14:37:00.828936Z",
"structure_string": "Ba1 Al1 Cr1 Cu1 O5\n1.0\n3.757773 0.000000 0.000000\n0.000000 3.757773 0.000000\n0.000000 -0.000000 7.631716\nBa Al Cr Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.996918 Ba\n0.000000 0.000000 0.457895 Al\n0.500000 0.500000 0.685426 Cr\n0.500000 0.500000 0.270803 Cu\n0.000000 0.500000 0.624194 O\n0.500000 0.000000 0.624194 O\n0.000000 0.500000 0.300818 O\n0.500000 0.000000 0.300818 O\n0.500000 0.500000 0.926856 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cr",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cr-Cu-O",
"density": 5.5447819328168535,
"density_atomic": 0.08351398853676012,
"volume": 107.76637731819616,
"volume_molar": 7.210936593393873,
"formula_full": "Ba1 Al1 Cr1 Cu1 O5",
"formula_reduced": "BaAlCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.125514902222222,
"spacegroup": 99
},
{
"id": "jvasp-7760",
"created_at": "2022-09-04T14:37:03.350792Z",
"updated_at": "2022-09-04T14:37:03.350808Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.004352 0.000000 0.000000\n0.000000 4.004352 -0.000000\n0.000000 -0.000000 4.129682\nBa Ti O\n1 1 3\ndirect\n0.500000 0.500000 0.583397 Ba\n0.000000 0.000000 0.101259 Ti\n0.000000 0.500000 0.063455 O\n0.500000 0.000000 0.063455 O\n0.000000 0.000000 0.548433 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.847658642141382,
"density_atomic": 0.07550729285022305,
"volume": 66.21876922429261,
"volume_molar": 7.975574984452923,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6327469606666667,
"spacegroup": 99
},
{
"id": "jvasp-8422",
"created_at": "2022-09-04T14:37:03.414959Z",
"updated_at": "2022-09-04T14:37:03.414984Z",
"structure_string": "Ba1 Y1 Cu1 Mo1 O5\n1.0\n3.972471 0.000000 0.000000\n0.000000 3.972471 -0.000000\n0.000000 0.000000 7.623522\nBa Y Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.013515 Ba\n0.000000 0.000000 0.556799 Y\n0.500000 0.500000 0.725485 Cu\n0.500000 0.500000 0.327589 Mo\n0.500000 0.000000 0.339755 O\n0.000000 0.500000 0.339755 O\n0.500000 0.000000 0.720779 O\n0.000000 0.500000 0.720779 O\n0.500000 0.500000 0.067626 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Cu-Mo-O-Y",
"density": 6.428253389183483,
"density_atomic": 0.07481098632908713,
"volume": 120.30318595733748,
"volume_molar": 8.049807996794906,
"formula_full": "Ba1 Y1 Cu1 Mo1 O5",
"formula_reduced": "BaYCuMoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.40206503,
"spacegroup": 99
},
{
"id": "jvasp-8405",
"created_at": "2022-09-04T14:37:04.797946Z",
"updated_at": "2022-09-04T14:37:04.797974Z",
"structure_string": "Ba1 Ti1 Al1 Cu1 O5\n1.0\n3.811874 0.000000 0.000000\n0.000000 3.811874 -0.000000\n0.000000 0.000000 8.033836\nBa Ti Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 -0.053355 Ba\n0.500000 0.500000 0.706093 Ti\n0.000000 0.000000 0.370458 Al\n0.500000 0.500000 0.194377 Cu\n0.000000 0.500000 0.685249 O\n0.500000 0.000000 0.685249 O\n0.000000 0.500000 0.328680 O\n0.500000 0.000000 0.328680 O\n0.500000 0.500000 0.942488 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Ti",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-O-Ti",
"density": 5.060058775065382,
"density_atomic": 0.07709788670278418,
"volume": 116.73471718745553,
"volume_molar": 7.81103220535165,
"formula_full": "Ba1 Ti1 Al1 Cu1 O5",
"formula_reduced": "BaTiAlCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9601083392592595,
"spacegroup": 99
},
{
"id": "jvasp-26879",
"created_at": "2022-09-04T14:37:05.078325Z",
"updated_at": "2022-09-04T14:37:05.078342Z",
"structure_string": "Ba1 Y1 Fe1 Cu1 O5\n1.0\n3.896250 0.000000 0.000000\n0.000000 3.896250 0.000000\n0.000000 0.000000 7.665629\nBa Y Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.985546 Ba\n0.000000 0.000000 0.459432 Y\n0.500000 0.500000 0.700003 Fe\n0.500000 0.500000 0.254412 Cu\n0.000000 0.500000 0.646523 O\n0.500000 0.000000 0.646523 O\n0.000000 0.500000 0.277063 O\n0.500000 0.000000 0.277063 O\n0.500000 0.500000 0.941352 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Y",
"density": 6.073381540121195,
"density_atomic": 0.07733945055274287,
"volume": 116.37010523965782,
"volume_molar": 7.786635044547032,
"formula_full": "Ba1 Y1 Fe1 Cu1 O5",
"formula_reduced": "BaYFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.072153874444444,
"spacegroup": 99
},
{
"id": "jvasp-8633",
"created_at": "2022-09-04T14:37:05.454413Z",
"updated_at": "2022-09-04T14:37:05.454434Z",
"structure_string": "V1 Pb1 O3\n1.0\n3.796608 0.000000 0.000000\n0.000000 3.796608 -0.000000\n0.000000 0.000000 4.739705\nV Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.566838 V\n0.000000 0.000000 0.009732 Pb\n0.000000 0.500000 0.686765 O\n0.500000 0.000000 0.686765 O\n0.500000 0.500000 0.210100 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 7.44090775708055,
"density_atomic": 0.07318585912052636,
"volume": 68.31920893031719,
"volume_molar": 8.228557855804382,
"formula_full": "V1 Pb1 O3",
"formula_reduced": "VPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.111417104,
"spacegroup": 99
},
{
"id": "jvasp-8322",
"created_at": "2022-09-04T14:37:05.519424Z",
"updated_at": "2022-09-04T14:37:05.519442Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n5.364388 -0.000000 -0.000000\n0.000000 5.364388 -0.000000\n-0.000000 0.000000 4.651859\nTi Bi O\n1 2 6\ndirect\n0.500000 0.500000 0.594650 Ti\n0.500000 0.000000 0.996077 Bi\n0.000000 0.500000 0.996077 Bi\n0.741330 0.741330 0.730494 O\n0.258671 0.741330 0.730494 O\n0.000000 0.000000 0.177809 O\n0.500000 0.500000 0.207500 O\n0.258671 0.258671 0.730494 O\n0.741330 0.258671 0.730494 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 6.969195255046566,
"density_atomic": 0.06723193365804898,
"volume": 133.86495836599403,
"volume_molar": 8.957262467906173,
"formula_full": "Ti1 Bi2 O6",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.472165325925926,
"spacegroup": 99
},
{
"id": "jvasp-8409",
"created_at": "2022-09-04T14:37:05.703370Z",
"updated_at": "2022-09-04T14:37:05.703379Z",
"structure_string": "Ba1 Al1 Cu1 Sn1 O5\n1.0\n3.803705 0.000000 0.000000\n0.000000 3.803705 0.000000\n0.000000 0.000000 8.573044\nBa Al Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.047871 Ba\n0.000000 0.000000 0.443035 Al\n0.499999 0.499999 0.283962 Cu\n0.499999 0.499999 0.697131 Sn\n0.000000 0.499999 0.589889 O\n0.499999 0.000000 0.589889 O\n0.000000 0.499999 0.299436 O\n0.499999 0.000000 0.299436 O\n0.499999 0.499999 0.937266 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Sn",
"O"
],
"chemical_system": "Al-Ba-Cu-O-Sn",
"density": 5.710604511704545,
"density_atomic": 0.07255941988355881,
"volume": 124.03627281534129,
"volume_molar": 8.299598824886075,
"formula_full": "Ba1 Al1 Cu1 Sn1 O5",
"formula_reduced": "BaAlCuSnO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.5747209355555556,
"spacegroup": 99
},
{
"id": "jvasp-8412",
"created_at": "2022-09-04T14:37:06.263666Z",
"updated_at": "2022-09-04T14:37:06.263691Z",
"structure_string": "Ba1 Y1 Cu1 Bi1 O5\n1.0\n3.924947 0.000000 0.000000\n0.000000 3.924947 0.000000\n-0.000000 0.000000 9.214530\nBa Y Cu Bi O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.052925 Ba\n0.000000 0.000000 0.444468 Y\n0.500000 0.500000 0.266194 Cu\n0.500000 0.500000 0.711550 Bi\n0.000000 0.500000 0.587593 O\n0.500000 0.000000 0.587593 O\n0.000000 0.500000 0.282636 O\n0.500000 0.000000 0.282636 O\n0.500000 0.500000 0.972318 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Cu-O-Y",
"density": 6.770239148935927,
"density_atomic": 0.063401820426233,
"volume": 141.95176005192712,
"volume_molar": 9.498372001805002,
"formula_full": "Ba1 Y1 Cu1 Bi1 O5",
"formula_reduced": "BaYCuBiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.752133741111111,
"spacegroup": 99
},
{
"id": "jvasp-10852",
"created_at": "2022-09-04T14:37:07.006068Z",
"updated_at": "2022-09-04T14:37:07.006083Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n3.781591 0.000000 0.000000\n-0.000000 3.781591 0.000000\n0.000000 0.000000 9.701589\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.212447 Ti\n0.500000 0.500000 0.736263 Zn\n0.000000 0.000000 0.526715 Bi\n0.000000 0.000000 -0.003456 Bi\n0.500000 0.500000 0.389828 O\n0.500000 0.000000 0.652130 O\n0.000000 0.500000 0.152247 O\n0.000000 0.500000 0.652130 O\n0.500000 0.500000 0.938750 O\n0.500000 0.000000 0.152247 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti-Zn",
"density": 7.5073411533175545,
"density_atomic": 0.07207887779894744,
"volume": 138.73689914947636,
"volume_molar": 8.35493135284071,
"formula_full": "Ti1 Zn1 Bi2 O6",
"formula_reduced": "TiZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.024111833333333,
"spacegroup": 99
},
{
"id": "jvasp-8418",
"created_at": "2022-09-04T14:37:07.132554Z",
"updated_at": "2022-09-04T14:37:07.132582Z",
"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-Mn-O",
"density": 5.574891005977465,
"density_atomic": 0.08328657133509468,
"volume": 108.06063757612803,
"volume_molar": 7.23062633443098,
"formula_full": "Ba1 Mn1 Al1 Cu1 O5",
"formula_reduced": "BaMnAlCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.0595582179310346,
"spacegroup": 99
},
{
"id": "jvasp-8414",
"created_at": "2022-09-04T14:37:07.206305Z",
"updated_at": "2022-09-04T14:37:07.206332Z",
"structure_string": "Ba1 Y1 Co1 Cu1 O5\n1.0\n3.875028 0.000000 0.000000\n0.000000 3.875028 0.000000\n0.000000 -0.000000 7.519196\nBa Y Co Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.971839 Ba\n0.000000 0.000000 0.461497 Y\n0.500000 0.500000 0.696577 Co\n0.500000 0.500000 0.243118 Cu\n0.000000 0.500000 0.654676 O\n0.500000 0.000000 0.654676 O\n0.000000 0.500000 0.278342 O\n0.500000 0.000000 0.278342 O\n0.500000 0.500000 0.948855 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Y",
"density": 6.305080683577841,
"density_atomic": 0.0797115793381639,
"volume": 112.90705910892704,
"volume_molar": 7.554913363906654,
"formula_full": "Ba1 Y1 Co1 Cu1 O5",
"formula_reduced": "BaYCoCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.066883363333333,
"spacegroup": 99
}
]
}