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=-volume_molar&page=56",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=54",
"results": [
{
"id": "jvasp-119930",
"created_at": "2022-09-04T14:38:53.930154Z",
"updated_at": "2022-09-04T14:38:53.930181Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n3.962649 0.000000 -0.000000\n0.000000 3.962649 0.000000\n-0.000000 0.000000 9.689887\nBa Ca Br\n1 1 1\ndirect\n0.000000 0.000000 0.422571 Ba\n0.000000 0.000000 0.021687 Ca\n0.000000 0.000000 0.740900 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Br"
],
"chemical_system": "Ba-Br-Ca",
"density": 2.8081102255315127,
"density_atomic": 0.01971656846856131,
"volume": 152.1562945795357,
"volume_molar": 30.54355411593297,
"formula_full": "Ba1 Ca1 Br1",
"formula_reduced": "BaCaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0400833333333332,
"spacegroup": 99
},
{
"id": "jvasp-114591",
"created_at": "2022-09-04T14:38:41.390274Z",
"updated_at": "2022-09-04T14:38:41.390295Z",
"structure_string": "Ba1 Zn1 Te1\n1.0\n4.839946 -0.762896 0.000000\n-1.473697 6.374817 0.000000\n0.000000 0.000000 5.117389\nBa Zn Te\n1 1 1\ndirect\n-0.218516 -0.222951 0.000000 Ba\n0.105837 0.425648 0.000000 Zn\n0.478632 0.171340 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 3.605529691756553,
"density_atomic": 0.019719020021088458,
"volume": 152.13737786115422,
"volume_molar": 30.539756811239283,
"formula_full": "Ba1 Zn1 Te1",
"formula_reduced": "BaZnTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1173566666666666,
"spacegroup": 38
},
{
"id": "jvasp-64418",
"created_at": "2022-09-04T14:36:18.065598Z",
"updated_at": "2022-09-04T14:36:18.065624Z",
"structure_string": "K1 Ba1 Ti1\n1.0\n0.000000 4.236934 4.236934\n4.236934 -0.000000 4.236934\n4.236934 4.236934 -0.000000\nK Ba Ti\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Ti"
],
"chemical_system": "Ba-K-Ti",
"density": 2.4483774418557873,
"density_atomic": 0.019721328275950144,
"volume": 152.11957115781362,
"volume_molar": 30.536182328773,
"formula_full": "K1 Ba1 Ti1",
"formula_reduced": "KBaTi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2056907677777775,
"spacegroup": 216
},
{
"id": "jvasp-38259",
"created_at": "2022-09-04T14:37:50.320095Z",
"updated_at": "2022-09-04T14:37:50.320118Z",
"structure_string": "Rb3 Al1\n1.0\n0.000000 4.662834 4.662834\n4.662834 -0.000000 4.662834\n4.662834 4.662834 -0.000000\nRb Al\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.32084428423543,
"density_atomic": 0.0197278670286215,
"volume": 202.75886867022862,
"volume_molar": 30.52606118676177,
"formula_full": "Rb3 Al1",
"formula_reduced": "Rb3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79029",
"created_at": "2022-09-04T14:36:39.031257Z",
"updated_at": "2022-09-04T14:36:39.031269Z",
"structure_string": "Rb3 Al1\n1.0\n-3.295944 3.295944 4.664562\n3.295944 -3.295944 4.664562\n3.295944 3.295944 -4.664562\nRb Al\n3 1\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.321642537505473,
"density_atomic": 0.019734652418952742,
"volume": 202.68915383371458,
"volume_molar": 30.515565372798072,
"formula_full": "Rb3 Al1",
"formula_reduced": "Rb3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 8.749999999999036e-05,
"spacegroup": 225
},
{
"id": "jvasp-50970",
"created_at": "2022-09-04T14:36:55.288621Z",
"updated_at": "2022-09-04T14:36:55.288635Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n7.773339 0.000000 0.000000\n-0.000000 7.773339 0.000000\n0.000000 0.000000 15.077403\nBa Sr I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.333049 Sr\n0.000000 0.000000 0.666951 Sr\n0.500000 0.500000 0.166951 Sr\n0.500000 0.500000 0.833048 Sr\n0.809735 0.190265 0.500000 I\n0.690265 0.690265 0.000000 I\n0.702749 0.702749 0.673894 I\n0.702749 0.702749 0.326106 I\n0.297251 0.297251 0.673894 I\n0.190265 0.809735 0.500000 I\n0.309735 0.309735 0.000000 I\n0.797251 0.202749 0.173894 I\n0.202749 0.797251 0.826106 I\n0.202749 0.797251 0.173894 I\n0.297251 0.297251 0.326106 I\n0.797251 0.202749 0.826106 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 3.915066258210546,
"density_atomic": 0.019757443380667063,
"volume": 911.0490488669832,
"volume_molar": 30.48036450856162,
"formula_full": "Ba2 Sr4 I12",
"formula_reduced": "BaSr2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0068444444444448,
"spacegroup": 136
},
{
"id": "jvasp-109024",
"created_at": "2022-09-04T14:37:47.521142Z",
"updated_at": "2022-09-04T14:37:47.521155Z",
"structure_string": "Ba6 Pr2\n1.0\n8.370566 -0.000000 0.000000\n-4.185283 7.249123 0.000000\n-0.000000 -0.000000 6.671152\nBa Pr\n6 2\ndirect\n0.171535 0.343069 0.250000 Ba\n0.656931 0.828465 0.250000 Ba\n0.171535 0.828465 0.250000 Ba\n0.828466 0.656931 0.750000 Ba\n0.343069 0.171535 0.750000 Ba\n0.828466 0.171535 0.750000 Ba\n0.333334 0.666666 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Pr"
],
"chemical_system": "Ba-Pr",
"density": 4.5360270724936065,
"density_atomic": 0.019762817363798122,
"volume": 404.80058347624777,
"volume_molar": 30.472076167801177,
"formula_full": "Ba6 Pr2",
"formula_reduced": "Ba3Pr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.26794694,
"spacegroup": 194
},
{
"id": "jvasp-118331",
"created_at": "2022-09-04T14:38:52.010223Z",
"updated_at": "2022-09-04T14:38:52.010251Z",
"structure_string": "Te1 O1 F1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nTe O F\n1 1 1\ndirect\n0.000000 0.000000 0.758141 Te\n0.000000 0.000000 -0.003773 O\n0.000000 0.000000 0.194644 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Te",
"O",
"F"
],
"chemical_system": "F-O-Te",
"density": 1.7793456436432287,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Te1 O1 F1",
"formula_reduced": "TeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.150507183055556,
"spacegroup": 99
},
{
"id": "jvasp-118082",
"created_at": "2022-09-04T14:38:52.535665Z",
"updated_at": "2022-09-04T14:38:52.535690Z",
"structure_string": "S1 N1 Cl1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nS N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.780247 S\n0.000000 0.000000 0.024351 N\n0.000000 0.000000 0.203154 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S",
"density": 0.8921437863209774,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "S1 N1 Cl1",
"formula_reduced": "SNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.827939105833333,
"spacegroup": 99
},
{
"id": "jvasp-113694",
"created_at": "2022-09-04T14:38:46.376280Z",
"updated_at": "2022-09-04T14:38:46.376301Z",
"structure_string": "Sc1 Al1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSc Al O\n1 1 1\ndirect\n0.000000 0.000000 0.730038 Sc\n0.000000 0.000000 0.235957 Al\n0.000000 0.000000 0.031099 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Al",
"O"
],
"chemical_system": "Al-O-Sc",
"density": 0.9623134442865305,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Sc1 Al1 O1",
"formula_reduced": "ScAlO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9974771833333331,
"spacegroup": 99
},
{
"id": "jvasp-116391",
"created_at": "2022-09-04T14:38:41.511303Z",
"updated_at": "2022-09-04T14:38:41.511340Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nPb Se O\n1 1 1\ndirect\n0.000000 0.000000 0.265124 Pb\n0.000000 0.000000 0.746168 Se\n0.000000 0.000000 0.014547 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 3.306600713507375,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Pb1 Se1 O1",
"formula_reduced": "PbSeO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4592225622222224,
"spacegroup": 99
},
{
"id": "jvasp-115488",
"created_at": "2022-09-04T14:38:42.320604Z",
"updated_at": "2022-09-04T14:38:42.320630Z",
"structure_string": "B1 Pb1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nB Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.224700 B\n0.000000 0.000000 0.732989 Pb\n0.000000 0.000000 -0.026223 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Pb",
"O"
],
"chemical_system": "B-O-Pb",
"density": 2.5608303286548306,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "B1 Pb1 O1",
"formula_reduced": "BPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.610048967777778,
"spacegroup": 99
}
]
}