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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3993",
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"results": [
{
"id": "jvasp-2802",
"created_at": "2022-09-04T14:36:48.850632Z",
"updated_at": "2022-09-04T14:36:48.850659Z",
"structure_string": "Tl3 Sb1 S3\n1.0\n5.900258 0.011398 -1.518571\n-1.961577 5.564655 -1.518571\n0.008051 0.011398 6.092539\nTl Sb S\n3 1 3\ndirect\n0.556915 0.556915 0.172234 Tl\n0.556915 0.172234 0.556915 Tl\n0.172233 0.556915 0.556915 Tl\n0.997609 0.997610 0.997609 Sb\n0.577960 0.968936 0.968935 S\n0.968935 0.968936 0.577961 S\n0.968935 0.577962 0.968935 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.887465291507468,
"density_atomic": 0.034934338415745406,
"volume": 200.3759142850978,
"volume_molar": 17.23845658197934,
"formula_full": "Tl3 Sb1 S3",
"formula_reduced": "Tl3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.817544842857143,
"spacegroup": 160
},
{
"id": "jvasp-112651",
"created_at": "2022-09-04T14:38:43.068332Z",
"updated_at": "2022-09-04T14:38:43.068354Z",
"structure_string": "Rb1 Ba3 Ga5 Se10 Cl2\n1.0\n7.843422 0.032790 -3.741626\n-1.846536 7.668806 -3.814266\n0.069311 -0.009561 9.957348\nRb Ba Ga Se Cl\n1 3 5 10 2\ndirect\n0.489089 0.353154 0.229889 Rb\n0.748483 0.874474 0.230277 Ba\n0.119556 0.508933 0.773511 Ba\n0.637312 0.236647 0.770061 Ba\n0.006897 0.002218 0.001125 Ga\n0.071103 0.474519 0.337635 Ga\n0.257759 0.852709 0.320859 Ga\n0.145177 0.935491 0.670294 Ga\n0.527747 0.735222 0.664808 Ga\n0.443387 0.953526 0.858097 Se\n0.045579 0.576068 0.139657 Se\n0.807733 0.716454 0.855468 Se\n0.042330 0.144887 0.851196 Se\n0.289440 0.936358 0.131079 Se\n0.167835 0.075379 0.511766 Se\n0.550811 0.823093 0.470438 Se\n0.931739 0.658583 0.496444 Se\n0.346778 0.447833 0.529011 Se\n0.865321 0.192778 0.153377 Se\n0.500311 0.507524 0.992881 Cl\n0.755605 0.244156 0.512123 Cl\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Ga",
"Se",
"Cl"
],
"chemical_system": "Ba-Cl-Ga-Rb-Se",
"density": 4.713911844609575,
"density_atomic": 0.03493233350513335,
"volume": 601.1622440543237,
"volume_molar": 17.239445968060046,
"formula_full": "Rb1 Ba3 Ga5 Se10 Cl2",
"formula_reduced": "RbBa3Ga5(Se5Cl)2",
"formula_anonymous": "AB2C3D5E10",
"energy_above_hull": 0.5543614922222223,
"spacegroup": 1
},
{
"id": "jvasp-37933",
"created_at": "2022-09-04T14:38:06.429078Z",
"updated_at": "2022-09-04T14:38:06.429101Z",
"structure_string": "Ac1 Mg3\n1.0\n-2.725098 2.725098 3.854917\n2.725098 -2.725098 3.854917\n2.725098 2.725098 -3.854917\nAc Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.499999 0.000000 Mg\n0.750002 0.250001 0.500000 Mg\n0.250001 0.750002 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 4.349186302810655,
"density_atomic": 0.034931780159099673,
"volume": 114.50890798526929,
"volume_molar": 17.239719054029493,
"formula_full": "Ac1 Mg3",
"formula_reduced": "AcMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1302875000000001,
"spacegroup": 225
},
{
"id": "jvasp-4140",
"created_at": "2022-09-04T14:36:52.720591Z",
"updated_at": "2022-09-04T14:36:52.720612Z",
"structure_string": "Ga2 Cl6\n1.0\n5.928761 -0.000000 3.375131\n2.036331 5.626611 3.317779\n0.005523 0.043201 6.885098\nGa Cl\n2 6\ndirect\n0.339349 0.084780 0.236520 Ga\n0.660650 0.915219 0.763480 Ga\n0.741109 0.000000 -0.000000 Cl\n0.258891 0.000000 -0.000000 Cl\n0.689347 0.193083 0.428223 Cl\n0.310653 0.806916 0.571778 Cl\n0.828232 0.547985 0.795550 Cl\n0.171767 0.452015 0.204451 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5533984930327316,
"density_atomic": 0.03493128234965284,
"volume": 229.02107972796787,
"volume_molar": 17.239964739112562,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 12
},
{
"id": "jvasp-107688",
"created_at": "2022-09-04T14:36:56.218913Z",
"updated_at": "2022-09-04T14:36:56.218937Z",
"structure_string": "Pm3 Ti1\n1.0\n4.856110 -0.000000 0.000000\n0.000000 4.856110 0.000000\n-0.000000 -0.000000 4.856110\nPm Ti\n3 1\ndirect\n-0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.500000 0.500000 -0.000000 Pm\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ti"
],
"chemical_system": "Pm-Ti",
"density": 7.001822163933411,
"density_atomic": 0.034929666895659836,
"volume": 114.51583583515415,
"volume_molar": 17.24076206620876,
"formula_full": "Pm3 Ti1",
"formula_reduced": "Pm3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 2.199025464583334,
"spacegroup": 221
},
{
"id": "jvasp-80301",
"created_at": "2022-09-04T14:37:15.072955Z",
"updated_at": "2022-09-04T14:37:15.072981Z",
"structure_string": "Y2 Cd1 Au1\n1.0\n-14.921100 1.859141 -5.578738\n-9.244150 0.174483 -0.693632\n-7.985944 3.733225 -2.872908\nY Cd Au\n2 1 1\ndirect\n0.513780 0.157202 0.157201 Y\n0.486223 0.842797 0.842795 Y\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Y",
"density": 7.06441583960491,
"density_atomic": 0.03492926408276555,
"volume": 114.5171564600366,
"volume_molar": 17.240960890932094,
"formula_full": "Y2 Cd1 Au1",
"formula_reduced": "Y2CdAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.050219555,
"spacegroup": 71
},
{
"id": "jvasp-81715",
"created_at": "2022-09-04T14:36:51.123363Z",
"updated_at": "2022-09-04T14:36:51.123382Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n-10.492601 0.000000 -6.057906\n-6.821612 -0.045395 -0.300434\n-5.750004 2.985567 -2.156512\nLi Ca Tl\n2 1 1\ndirect\n0.721940 -0.000001 -0.000000 Li\n0.278060 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000001 -0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Tl"
],
"chemical_system": "Ca-Li-Tl",
"density": 3.7459698380847994,
"density_atomic": 0.034928341715007735,
"volume": 114.5201805638918,
"volume_molar": 17.241416180409313,
"formula_full": "Li2 Ca1 Tl1",
"formula_reduced": "Li2CaTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2757325,
"spacegroup": 71
},
{
"id": "jvasp-16748",
"created_at": "2022-09-04T14:37:47.441970Z",
"updated_at": "2022-09-04T14:37:47.441982Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n4.129047 -0.026103 6.147780\n1.853595 3.689701 6.147780\n-0.042627 -0.026103 7.405566\nAg Sb Te\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.754824 0.754827 0.754826 Te\n0.245174 0.245175 0.245175 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.029964670382378,
"density_atomic": 0.03492819666636546,
"volume": 114.52065613945223,
"volume_molar": 17.241487779983487,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7682572233333334,
"spacegroup": 166
},
{
"id": "jvasp-106955",
"created_at": "2022-09-04T14:36:52.076454Z",
"updated_at": "2022-09-04T14:36:52.076474Z",
"structure_string": "La2 Ag1 Hg1\n1.0\n4.720632 -0.000000 2.725458\n1.573544 4.450655 2.725458\n-0.000000 -0.000000 5.450917\nLa Ag Hg\n2 1 1\ndirect\n0.749999 0.749999 0.750002 La\n0.250000 0.250000 0.250001 La\n0.500000 0.499999 0.500001 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-La",
"density": 8.50065686957475,
"density_atomic": 0.03492740705317085,
"volume": 114.5232451384296,
"volume_molar": 17.24187756289022,
"formula_full": "La2 Ag1 Hg1",
"formula_reduced": "La2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.350637965,
"spacegroup": 225
},
{
"id": "jvasp-99687",
"created_at": "2022-09-04T14:36:38.029552Z",
"updated_at": "2022-09-04T14:36:38.029572Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n6.406977 -0.000000 3.699070\n2.135659 6.040556 3.699070\n-0.000000 -0.000000 7.398140\nK Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.754191 0.245809 0.245809 Cl\n0.245809 0.245809 0.754191 Cl\n0.245809 0.754191 0.754191 Cl\n0.245809 0.754191 0.245809 Cl\n0.754191 0.245809 0.754191 Cl\n0.754191 0.754191 0.245809 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Na-Tm",
"density": 2.8002605073444737,
"density_atomic": 0.03492588138021563,
"volume": 286.32061968992065,
"volume_molar": 17.2426307426313,
"formula_full": "K2 Na1 Tm1 Cl6",
"formula_reduced": "K2NaTmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39101",
"created_at": "2022-09-04T14:37:51.423211Z",
"updated_at": "2022-09-04T14:37:51.423238Z",
"structure_string": "Si1 Bi3\n1.0\n0.000000 3.854441 3.854441\n3.854441 -0.000000 3.854441\n3.854441 3.854441 -0.000000\nSi Bi\n1 3\ndirect\n0.750001 0.750001 0.750001 Si\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.250001 0.250001 0.250001 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Bi"
],
"chemical_system": "Bi-Si",
"density": 9.497163130069476,
"density_atomic": 0.034925753841622234,
"volume": 114.52866609948619,
"volume_molar": 17.24269370765365,
"formula_full": "Si1 Bi3",
"formula_reduced": "SiBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.562585375,
"spacegroup": 225
},
{
"id": "jvasp-10681",
"created_at": "2022-09-04T14:37:01.745040Z",
"updated_at": "2022-09-04T14:37:01.745053Z",
"structure_string": "Rb2 Ag6 Te4\n1.0\n4.604422 -0.000000 -0.000000\n-2.302211 8.087983 -3.427332\n-0.000000 0.028146 9.214623\nRb Ag Te\n2 6 4\ndirect\n0.135624 0.271249 0.048914 Rb\n0.864375 0.728751 0.951086 Rb\n0.938417 0.876835 0.587798 Ag\n0.587240 0.174480 0.627253 Ag\n0.061583 0.123165 0.412202 Ag\n0.308501 0.617002 0.546057 Ag\n0.412760 0.825520 0.372747 Ag\n0.691499 0.382998 0.453943 Ag\n0.202222 0.404442 0.706769 Te\n0.479449 0.958899 0.780637 Te\n0.520551 0.041101 0.219363 Te\n0.797778 0.595558 0.293231 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Te"
],
"chemical_system": "Ag-Rb-Te",
"density": 6.420526012968421,
"density_atomic": 0.03492420707230888,
"volume": 343.6012154880018,
"volume_molar": 17.24345737479866,
"formula_full": "Rb2 Ag6 Te4",
"formula_reduced": "RbAg3Te2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0955874666666666,
"spacegroup": 12
}
]
}