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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=997",
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"results": [
{
"id": "jvasp-119146",
"created_at": "2022-09-04T14:38:51.257469Z",
"updated_at": "2022-09-04T14:38:51.257493Z",
"structure_string": "Sr1 Ca3 Ru4 O12\n1.0\n7.745808 -0.000000 0.000000\n0.000000 5.417084 0.005988\n-0.000000 -0.001742 5.584058\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490796 0.546630 Sr\n0.500000 0.015520 0.054993 Ca\n-0.000000 0.513331 0.440360 Ca\n-0.000000 0.986010 0.945001 Ca\n0.247139 0.000552 0.500322 Ru\n0.752446 0.499273 0.999415 Ru\n0.752862 0.000552 0.500322 Ru\n0.247554 0.499273 0.999415 Ru\n0.500000 0.930506 0.471120 O\n0.500000 0.594629 0.991110 O\n0.285894 0.294866 0.290662 O\n0.704945 0.193702 0.801990 O\n0.798929 0.697581 0.701983 O\n0.714106 0.294866 0.290662 O\n0.201071 0.697581 0.701983 O\n0.801595 0.798851 0.204055 O\n-0.000000 0.404137 0.022123 O\n0.295055 0.193702 0.801990 O\n0.198405 0.798851 0.204055 O\n-0.000000 0.095415 0.531817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ru",
"O"
],
"chemical_system": "Ca-O-Ru-Sr",
"density": 5.698903013798354,
"density_atomic": 0.08535866765923492,
"volume": 234.30543784777794,
"volume_molar": 7.055101637763751,
"formula_full": "Sr1 Ca3 Ru4 O12",
"formula_reduced": "SrCa3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7450200785,
"spacegroup": 6
},
{
"id": "jvasp-37301",
"created_at": "2022-09-04T14:37:54.043783Z",
"updated_at": "2022-09-04T14:37:54.043824Z",
"structure_string": "Sr1 Ca3 O4\n1.0\n4.918544 0.000000 0.000000\n0.000000 4.918544 0.000000\n-0.000000 -0.000000 4.918544\nSr Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"O"
],
"chemical_system": "Ca-O-Sr",
"density": 3.793772712008797,
"density_atomic": 0.067232661617027,
"volume": 118.98978573196871,
"volume_molar": 8.957165483501939,
"formula_full": "Sr1 Ca3 O4",
"formula_reduced": "SrCa3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.73533519625,
"spacegroup": 221
},
{
"id": "jvasp-102680",
"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Br",
"N"
],
"chemical_system": "Br-Ca-N-Sr",
"density": 3.8430211769248643,
"density_atomic": 0.04679232417097489,
"volume": 170.96821202487675,
"volume_molar": 12.869932978741653,
"formula_full": "Sr1 Ca3 Br2 N2",
"formula_reduced": "SrCa3(BrN)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.003379035,
"spacegroup": 6
},
{
"id": "jvasp-110470",
"created_at": "2022-09-04T14:38:39.204622Z",
"updated_at": "2022-09-04T14:38:39.204647Z",
"structure_string": "Sr1 Ca3\n1.0\n5.582366 -0.000000 -0.000000\n-0.000000 5.582366 -0.000000\n0.000000 -0.000000 5.582366\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.9840497737915002,
"density_atomic": 0.022993499315380268,
"volume": 173.96221189022825,
"volume_molar": 26.190623173097507,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-105860",
"created_at": "2022-09-04T14:35:55.762453Z",
"updated_at": "2022-09-04T14:35:55.762488Z",
"structure_string": "Sr1 Ca3\n1.0\n5.107462 0.002900 -4.510733\n-1.036956 5.001090 -4.510733\n-0.002359 -0.002900 6.814167\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.984299014897768,
"density_atomic": 0.022996387814087325,
"volume": 173.94036108356312,
"volume_molar": 26.18733345726108,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001575,
"spacegroup": 139
},
{
"id": "jvasp-99492",
"created_at": "2022-09-04T14:36:32.178531Z",
"updated_at": "2022-09-04T14:36:32.178559Z",
"structure_string": "Sr1 Ca3\n1.0\n5.404664 -0.000000 3.120384\n1.801555 5.095566 3.120384\n-0.000000 -0.000000 6.240768\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750001 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.008206254006711,
"density_atomic": 0.023273452983190227,
"volume": 171.8696406110898,
"volume_molar": 25.87557920326488,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0024824999999999,
"spacegroup": 225
},
{
"id": "jvasp-103685",
"created_at": "2022-09-04T14:36:44.171574Z",
"updated_at": "2022-09-04T14:36:44.171605Z",
"structure_string": "Sr1 Ca2 Si6\n1.0\n6.359369 0.007750 0.281636\n5.144315 3.738671 0.281636\n-0.047434 -0.015448 8.424188\nSr Ca Si\n1 2 6\ndirect\n0.500000 0.500000 0.000001 Sr\n0.170521 0.170520 0.667751 Ca\n0.829479 0.829479 0.332250 Ca\n0.918639 0.918638 0.742213 Si\n0.586961 0.586961 0.425118 Si\n0.247379 0.247379 0.085791 Si\n0.413039 0.413038 0.574883 Si\n0.081361 0.081361 0.257788 Si\n0.752621 0.752620 0.914211 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 2.7919753409204295,
"density_atomic": 0.04499790851486083,
"volume": 200.00929592155813,
"volume_molar": 13.3831570372013,
"formula_full": "Sr1 Ca2 Si6",
"formula_reduced": "Sr(CaSi3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.235633194444444,
"spacegroup": 12
},
{
"id": "jvasp-49833",
"created_at": "2022-09-04T14:37:13.003204Z",
"updated_at": "2022-09-04T14:37:13.003218Z",
"structure_string": "Sr1 Ca2 I6\n1.0\n3.931942 -6.810323 0.000000\n3.931942 6.810323 -0.000000\n0.000000 0.000000 7.137323\nSr Ca I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.650549 0.650549 0.749285 I\n0.349451 0.349451 0.250714 I\n0.349451 0.000000 0.749285 I\n0.650549 0.000000 0.250714 I\n0.000000 0.650549 0.250714 I\n0.000000 0.349451 0.749285 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.036634769441186,
"density_atomic": 0.02354519813878431,
"volume": 382.24354481752897,
"volume_molar": 25.576938127694753,
"formula_full": "Sr1 Ca2 I6",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 162
},
{
"id": "jvasp-119145",
"created_at": "2022-09-04T14:38:51.643218Z",
"updated_at": "2022-09-04T14:38:51.643240Z",
"structure_string": "Sr1 Ca2 Fe3 O6\n1.0\n3.847547 -0.000000 0.000000\n0.000000 3.847547 0.000000\n-0.000000 -0.000000 9.859974\nSr Ca Fe O\n1 2 3 6\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.500000 0.338771 Ca\n0.500000 0.500000 0.661229 Ca\n0.000000 0.000000 0.814153 Fe\n0.000000 0.000000 0.185847 Fe\n0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.181583 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.818417 O\n0.500000 0.000000 0.181583 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.818417 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr",
"density": 4.906732359606142,
"density_atomic": 0.08221245344199511,
"volume": 145.9632877696149,
"volume_molar": 7.325095539508395,
"formula_full": "Sr1 Ca2 Fe3 O6",
"formula_reduced": "SrCa2(FeO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.185236220833333,
"spacegroup": 123
},
{
"id": "jvasp-74210",
"created_at": "2022-09-04T14:36:06.722103Z",
"updated_at": "2022-09-04T14:36:06.722122Z",
"structure_string": "Sr1 Ca2 Be1\n1.0\n4.869770 0.000000 0.000000\n0.000000 4.869770 0.000000\n0.000000 0.000000 5.433003\nSr Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-Sr",
"density": 2.278481373492184,
"density_atomic": 0.031045820822909683,
"volume": 128.84181812478525,
"volume_molar": 19.397589113044404,
"formula_full": "Sr1 Ca2 Be1",
"formula_reduced": "SrCa2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1927008124999999,
"spacegroup": 123
},
{
"id": "jvasp-79384",
"created_at": "2022-09-04T14:37:11.886674Z",
"updated_at": "2022-09-04T14:37:11.886705Z",
"structure_string": "Sr1 Ca1 Tl2\n1.0\n-0.000004 3.956790 3.956764\n3.956756 0.000002 3.956758\n3.956766 3.956793 -0.000007\nSr Ca Tl\n1 1 2\ndirect\n0.749998 0.750001 0.750000 Sr\n0.249998 0.249999 0.250001 Ca\n0.000000 -0.000000 0.000000 Tl\n0.499999 0.500001 0.500001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Tl"
],
"chemical_system": "Ca-Sr-Tl",
"density": 7.190132178555064,
"density_atomic": 0.03228543920864683,
"volume": 123.89486090462422,
"volume_molar": 18.6528072952067,
"formula_full": "Sr1 Ca1 Tl2",
"formula_reduced": "SrCaTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-78747",
"created_at": "2022-09-04T14:37:01.560276Z",
"updated_at": "2022-09-04T14:37:01.560302Z",
"structure_string": "Sr1 Ca1 Sn1\n1.0\n4.656906 -0.000000 2.688666\n1.552302 4.390572 2.688666\n-0.000000 -0.000000 5.377330\nSr Ca Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ca",
"Sn"
],
"chemical_system": "Ca-Sn-Sr",
"density": 3.7215052551442294,
"density_atomic": 0.0272857559332122,
"volume": 109.94747616093723,
"volume_molar": 22.070639254930278,
"formula_full": "Sr1 Ca1 Sn1",
"formula_reduced": "SrCaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}