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=-formula_anonymous&page=467",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=465",
"results": [
{
"id": "jvasp-64328",
"created_at": "2022-09-04T14:38:14.742936Z",
"updated_at": "2022-09-04T14:38:14.742961Z",
"structure_string": "Ba4 Ga1 Pd1\n1.0\n-0.000000 4.877887 4.877887\n4.877887 0.000000 4.877887\n4.877887 4.877887 -0.000000\nBa Ga Pd\n4 1 1\ndirect\n0.124575 0.625142 0.625142 Ba\n0.625142 0.625142 0.625142 Ba\n0.625142 0.124575 0.625142 Ba\n0.625142 0.625142 0.124575 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pd"
],
"chemical_system": "Ba-Ga-Pd",
"density": 5.18957723133079,
"density_atomic": 0.025847946656161688,
"volume": 232.12675574636825,
"volume_molar": 23.298333287779478,
"formula_full": "Ba4 Ga1 Pd1",
"formula_reduced": "Ba4GaPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1273219841666666,
"spacegroup": 216
},
{
"id": "jvasp-108793",
"created_at": "2022-09-04T14:38:19.422345Z",
"updated_at": "2022-09-04T14:38:19.422377Z",
"structure_string": "Ce1 Pr1 O4\n1.0\n3.787923 -0.001074 5.637890\n1.717284 3.376285 5.637890\n-0.001752 -0.001074 6.792213\nCe Pr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500000 0.500000 Pr\n0.630609 0.630610 0.630610 O\n0.119143 0.119144 0.119144 O\n0.880855 0.880857 0.880857 O\n0.369390 0.369391 0.369390 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pr",
"O"
],
"chemical_system": "Ce-O-Pr",
"density": 6.591001340630746,
"density_atomic": 0.06902520555416877,
"volume": 86.92476830498379,
"volume_molar": 8.724553171049983,
"formula_full": "Ce1 Pr1 O4",
"formula_reduced": "CePrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9555315583333337,
"spacegroup": 166
},
{
"id": "jvasp-64099",
"created_at": "2022-09-04T14:38:12.082764Z",
"updated_at": "2022-09-04T14:38:12.082789Z",
"structure_string": "Ba4 Na1 Re1\n1.0\n0.000000 4.897086 4.897086\n4.897086 -0.000000 4.897086\n4.897086 4.897086 -0.000000\nBa Na Re\n4 1 1\ndirect\n0.119807 0.626732 0.626732 Ba\n0.626732 0.626732 0.626732 Ba\n0.626732 0.119807 0.626732 Ba\n0.626732 0.626732 0.119807 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Re"
],
"chemical_system": "Ba-Na-Re",
"density": 5.362461965454075,
"density_atomic": 0.025545126750824352,
"volume": 234.8784587575545,
"volume_molar": 23.57451900216413,
"formula_full": "Ba4 Na1 Re1",
"formula_reduced": "Ba4NaRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1775884799999998,
"spacegroup": 216
},
{
"id": "jvasp-11725",
"created_at": "2022-09-04T14:38:12.058820Z",
"updated_at": "2022-09-04T14:38:12.058850Z",
"structure_string": "Sm2 Cr2 O8\n1.0\n5.816232 0.000562 -1.678975\n-3.290383 4.796034 -1.678975\n-0.000296 -0.000562 6.053720\nSm Cr O\n2 2 8\ndirect\n0.375000 0.625000 0.749999 Sm\n0.625001 0.375001 0.250000 Sm\n0.875000 0.125001 0.749999 Cr\n0.125000 0.874999 0.249999 Cr\n0.296415 0.227300 0.430884 O\n0.865529 0.296415 0.569114 O\n0.227299 0.296415 0.930885 O\n0.296414 0.865529 0.069113 O\n0.134471 0.703586 0.430884 O\n0.703584 0.772701 0.569114 O\n0.772700 0.703584 0.069113 O\n0.703584 0.134471 0.930885 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sm",
"density": 5.238307162658926,
"density_atomic": 0.0710615015039397,
"volume": 168.86780811034106,
"volume_molar": 8.47454758560953,
"formula_full": "Sm2 Cr2 O8",
"formula_reduced": "SmCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4832100458333333,
"spacegroup": 141
},
{
"id": "jvasp-10243",
"created_at": "2022-09-04T14:38:16.321365Z",
"updated_at": "2022-09-04T14:38:16.321375Z",
"structure_string": "Ce3 P3 O12\n1.0\n3.582825 -6.205634 0.000000\n3.582825 6.205634 -0.000000\n-0.000000 0.000000 6.464935\nCe P O\n3 3 12\ndirect\n0.000001 0.500000 0.666667 Ce\n0.500001 0.500001 0.333333 Ce\n0.500000 0.000001 0.000000 Ce\n0.000001 0.500000 0.166667 P\n0.500001 0.500001 0.833334 P\n0.500000 0.000001 0.500000 P\n0.862692 0.308864 0.019900 O\n0.137310 0.691138 0.019900 O\n0.308863 0.446172 0.686566 O\n0.446172 0.137309 0.353233 O\n0.553829 0.691138 0.980101 O\n0.862692 0.553830 0.313434 O\n0.137309 0.446172 0.313434 O\n0.691138 0.553829 0.686566 O\n0.691138 0.137310 0.646767 O\n0.446172 0.308863 0.980101 O\n0.553830 0.862692 0.353233 O\n0.308864 0.862692 0.646767 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"P",
"O"
],
"chemical_system": "Ce-O-P",
"density": 4.073743894448281,
"density_atomic": 0.06261329988730596,
"volume": 287.4788588430438,
"volume_molar": 9.61798974153878,
"formula_full": "Ce3 P3 O12",
"formula_reduced": "CePO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2287758333333336,
"spacegroup": 180
},
{
"id": "jvasp-18879",
"created_at": "2022-09-04T14:36:21.881318Z",
"updated_at": "2022-09-04T14:36:21.881337Z",
"structure_string": "Co1 Re1 O4\n1.0\n2.871978 0.000000 0.000000\n0.000000 4.562437 -0.173525\n0.000000 -0.017780 4.565701\nCo Re O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.499998 Re\n0.499999 0.800105 0.800104 O\n0.499999 0.199896 0.199895 O\n0.000000 0.288410 0.711590 O\n0.000000 0.711592 0.288408 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Re",
"O"
],
"chemical_system": "Co-O-Re",
"density": 8.581833314925893,
"density_atomic": 0.1003067416312541,
"volume": 59.81651783742608,
"volume_molar": 6.003724836500511,
"formula_full": "Co1 Re1 O4",
"formula_reduced": "CoReO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.425562150000001,
"spacegroup": 65
},
{
"id": "jvasp-65180",
"created_at": "2022-09-04T14:36:15.952852Z",
"updated_at": "2022-09-04T14:36:15.952883Z",
"structure_string": "Be1 Ge4 Pt1\n1.0\n-0.000000 3.813377 3.813377\n3.813377 0.000000 3.813377\n3.813377 3.813377 0.000000\nBe Ge Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124713 0.625096 0.625096 Ge\n0.625096 0.625096 0.625096 Ge\n0.625096 0.124713 0.625096 Ge\n0.625096 0.625096 0.124713 Ge\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Pt"
],
"chemical_system": "Be-Ge-Pt",
"density": 7.406163823513098,
"density_atomic": 0.05409934739547495,
"volume": 110.90706799361243,
"volume_molar": 11.131632912273748,
"formula_full": "Be1 Ge4 Pt1",
"formula_reduced": "BeGe4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5381068833333331,
"spacegroup": 216
},
{
"id": "jvasp-69041",
"created_at": "2022-09-04T14:36:19.178489Z",
"updated_at": "2022-09-04T14:36:19.178519Z",
"structure_string": "Ba1 Hf1 Hg4\n1.0\n-0.000000 4.286845 4.286845\n4.286845 -0.000000 4.286845\n4.286845 4.286845 -0.000000\nBa Hf Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.122177 0.625940 0.625940 Hg\n0.625940 0.625940 0.625940 Hg\n0.625940 0.122177 0.625940 Hg\n0.625940 0.625940 0.122177 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Hg"
],
"chemical_system": "Ba-Hf-Hg",
"density": 11.78463983000894,
"density_atomic": 0.03808096207670606,
"volume": 157.55904454079354,
"volume_molar": 15.814045737262806,
"formula_full": "Ba1 Hf1 Hg4",
"formula_reduced": "BaHfHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-74968",
"created_at": "2022-09-04T14:36:13.365221Z",
"updated_at": "2022-09-04T14:36:13.365239Z",
"structure_string": "Be1 Nb4 Rh1\n1.0\n-0.000000 3.748230 3.748230\n3.748230 -0.000000 3.748230\n3.748230 3.748230 0.000000\nBe Nb Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122928 0.625691 0.625691 Nb\n0.625691 0.625691 0.625691 Nb\n0.625691 0.122928 0.625691 Nb\n0.625691 0.625691 0.122928 Nb\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Rh"
],
"chemical_system": "Be-Nb-Rh",
"density": 7.623873591536242,
"density_atomic": 0.05696951965902424,
"volume": 105.31947672915953,
"volume_molar": 10.570811893875717,
"formula_full": "Be1 Nb4 Rh1",
"formula_reduced": "BeNb4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.00922445,
"spacegroup": 216
},
{
"id": "jvasp-64295",
"created_at": "2022-09-04T14:36:10.309656Z",
"updated_at": "2022-09-04T14:36:10.309689Z",
"structure_string": "Ba4 Se1 Cl1\n1.0\n0.000000 4.925177 4.925177\n4.925177 0.000000 4.925177\n4.925177 4.925177 -0.000000\nBa Se Cl\n4 1 1\ndirect\n0.122726 0.625758 0.625758 Ba\n0.625758 0.625758 0.625758 Ba\n0.625758 0.122726 0.625758 Ba\n0.625758 0.625758 0.122726 Ba\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Se",
"Cl"
],
"chemical_system": "Ba-Cl-Se",
"density": 4.61252924288367,
"density_atomic": 0.025110521170667432,
"volume": 238.943666649533,
"volume_molar": 23.982539904566753,
"formula_full": "Ba4 Se1 Cl1",
"formula_reduced": "Ba4SeCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1294363183333333,
"spacegroup": 216
},
{
"id": "jvasp-66281",
"created_at": "2022-09-04T14:36:19.002084Z",
"updated_at": "2022-09-04T14:36:19.002100Z",
"structure_string": "Ba4 Ta1 Ru1\n1.0\n-0.000000 4.743413 4.743413\n4.743413 0.000000 4.743413\n4.743413 4.743413 0.000000\nBa Ta Ru\n4 1 1\ndirect\n0.126224 0.624591 0.624591 Ba\n0.624591 0.624591 0.624591 Ba\n0.624591 0.126224 0.624591 Ba\n0.624591 0.624591 0.126224 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Ru"
],
"chemical_system": "Ba-Ru-Ta",
"density": 6.467219242599989,
"density_atomic": 0.02810919680607813,
"volume": 213.45327087761552,
"volume_molar": 21.424094048456826,
"formula_full": "Ba4 Ta1 Ru1",
"formula_reduced": "Ba4TaRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.15875393,
"spacegroup": 216
},
{
"id": "jvasp-60847",
"created_at": "2022-09-04T14:36:22.321817Z",
"updated_at": "2022-09-04T14:36:22.321843Z",
"structure_string": "Y1 Ni4 Au1\n1.0\n0.000000 3.489213 3.489213\n3.489213 -0.000000 3.489213\n3.489213 3.489213 0.000000\nY Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.126862 0.624379 0.624379 Ni\n0.624379 0.126862 0.624379 Ni\n0.624379 0.624379 0.126862 Ni\n0.624379 0.624379 0.624379 Ni\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Au"
],
"chemical_system": "Au-Ni-Y",
"density": 10.176049436024993,
"density_atomic": 0.07062180429998301,
"volume": 84.95959653641196,
"volume_molar": 8.527310820918023,
"formula_full": "Y1 Ni4 Au1",
"formula_reduced": "YNi4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3124004366666666,
"spacegroup": 216
}
]
}