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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3815",
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"results": [
{
"id": "jvasp-29304",
"created_at": "2022-09-04T14:38:07.589878Z",
"updated_at": "2022-09-04T14:38:07.589908Z",
"structure_string": "Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Te"
],
"chemical_system": "Nb-Si-Te",
"density": 6.659027879639097,
"density_atomic": 0.037394097091755625,
"volume": 1069.6875472577972,
"volume_molar": 16.104522447014016,
"formula_full": "Nb12 Si4 Te24",
"formula_reduced": "Nb3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.96049034,
"spacegroup": 62
},
{
"id": "jvasp-260",
"created_at": "2022-09-04T14:36:46.058516Z",
"updated_at": "2022-09-04T14:36:46.058535Z",
"structure_string": "Pb2 S2\n1.0\n4.245470 0.011778 -0.000000\n-0.012305 4.245469 0.000000\n-0.000000 -0.000000 5.934864\nPb S\n2 2\ndirect\n0.260472 0.760473 0.750057 Pb\n0.760473 0.260474 0.249943 Pb\n0.760527 0.260527 0.749939 S\n0.260526 0.760527 0.250060 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.428353339947577,
"density_atomic": 0.03739334164515475,
"volume": 106.97091578383449,
"volume_molar": 16.104847801908928,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3890454099999998,
"spacegroup": 225
},
{
"id": "jvasp-74804",
"created_at": "2022-09-04T14:35:46.376331Z",
"updated_at": "2022-09-04T14:35:46.376364Z",
"structure_string": "Be1 Zn1 In4\n1.0\n0.000000 4.313014 4.313014\n4.313014 -0.000000 4.313014\n4.313014 4.313014 -0.000000\nBe Zn In\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124685 0.625104 0.625104 In\n0.625104 0.625104 0.625104 In\n0.625104 0.124685 0.625104 In\n0.625104 0.625104 0.124685 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"In"
],
"chemical_system": "Be-In-Zn",
"density": 5.522912374971034,
"density_atomic": 0.037391996218586125,
"volume": 160.46214716446806,
"volume_molar": 16.105427281271027,
"formula_full": "Be1 Zn1 In4",
"formula_reduced": "BeZnIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-81841",
"created_at": "2022-09-04T14:37:12.257859Z",
"updated_at": "2022-09-04T14:37:12.257879Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-9.561466 0.000000 -5.520315\n-6.326337 -0.405139 -0.083093\n-5.104950 3.049464 -2.198597\nSr Pd Pt\n2 1 1\ndirect\n0.755894 -0.000001 -0.000000 Sr\n0.244107 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Sr",
"density": 7.40032983641531,
"density_atomic": 0.037391831222393375,
"volume": 106.97523681601513,
"volume_molar": 16.105498348509432,
"formula_full": "Sr2 Pd1 Pt1",
"formula_reduced": "Sr2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8985724300000001,
"spacegroup": 71
},
{
"id": "jvasp-123648",
"created_at": "2022-09-04T14:38:52.411148Z",
"updated_at": "2022-09-04T14:38:52.411167Z",
"structure_string": "Se2 Br1\n1.0\n1.917583 -3.553065 -0.046657\n2.118254 3.668922 -0.000000\n-0.034758 0.020068 5.510294\nSe Br\n2 1\ndirect\n0.719751 0.693208 0.546595 Se\n0.280246 -0.026544 0.786736 Se\n-0.000000 0.333334 0.166667 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 4.922199122339968,
"density_atomic": 0.03739173839527144,
"volume": 80.23162679110366,
"volume_molar": 16.105538331327114,
"formula_full": "Se2 Br1",
"formula_reduced": "Se2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8015602794444447,
"spacegroup": 12
},
{
"id": "jvasp-98408",
"created_at": "2022-09-04T14:35:44.852127Z",
"updated_at": "2022-09-04T14:35:44.852163Z",
"structure_string": "Ga12 Cl28\n1.0\n8.851187 0.000000 0.000000\n0.000000 10.364258 0.000000\n0.000000 0.000000 11.661515\nGa Cl\n12 28\ndirect\n0.850720 0.130606 0.393502 Ga\n0.121225 0.263095 0.888401 Ga\n0.649281 0.130606 0.893502 Ga\n0.149281 0.630607 0.606498 Ga\n0.575840 0.496971 0.825902 Ga\n0.878776 0.763096 0.111598 Ga\n0.350720 0.630607 0.106498 Ga\n0.924160 0.496971 0.325902 Ga\n0.621225 0.763096 0.611598 Ga\n0.424160 -0.003029 0.174098 Ga\n0.075840 -0.003029 0.674098 Ga\n0.378776 0.263095 0.388401 Ga\n0.323722 0.936653 0.012351 Cl\n0.697029 0.820844 -0.003303 Cl\n0.248237 0.134152 0.257201 Cl\n0.982205 0.913874 0.213400 Cl\n0.960665 0.130880 0.971156 Cl\n0.460665 0.630880 0.528843 Cl\n0.627965 0.116728 0.157413 Cl\n0.251764 0.134152 0.757200 Cl\n0.446799 0.835296 0.291916 Cl\n0.176278 0.936653 0.512351 Cl\n0.372036 0.616729 0.842587 Cl\n0.872036 0.116728 0.657412 Cl\n0.053201 0.835296 0.791916 Cl\n0.039335 0.630880 0.028843 Cl\n0.539335 0.130880 0.471156 Cl\n0.748237 0.634152 0.242799 Cl\n0.482205 0.413874 0.286600 Cl\n0.802971 0.820844 0.496697 Cl\n0.302971 0.320844 0.003303 Cl\n0.676279 0.436653 0.987648 Cl\n0.823722 0.436653 0.487648 Cl\n0.017795 0.413874 0.786600 Cl\n0.751764 0.634152 0.742799 Cl\n0.197029 0.320844 0.503303 Cl\n0.127965 0.616729 0.342587 Cl\n0.946799 0.335296 0.208084 Cl\n0.517795 0.913874 0.713400 Cl\n0.553201 0.335296 0.708084 Cl\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.8395764735317868,
"density_atomic": 0.03739084538483916,
"volume": 1069.7805729800048,
"volume_molar": 16.105922981997608,
"formula_full": "Ga12 Cl28",
"formula_reduced": "Ga3Cl7",
"formula_anonymous": "A3B7",
"energy_above_hull": 0.1005444883333333,
"spacegroup": 33
},
{
"id": "jvasp-53457",
"created_at": "2022-09-04T14:38:30.493022Z",
"updated_at": "2022-09-04T14:38:30.493039Z",
"structure_string": "Pr4 Pb2 Se8\n1.0\n7.415178 -0.002867 -2.619906\n-3.710073 6.420299 -2.619906\n0.001656 0.002867 7.864400\nPr Pb Se\n4 2 8\ndirect\n0.117052 0.750000 0.867051 Pr\n0.250001 0.617051 0.367051 Pr\n0.382950 0.250000 0.632949 Pr\n0.750001 0.882949 0.132948 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750000 Pb\n0.007168 0.855085 0.498563 Se\n0.008605 0.356521 0.501437 Se\n0.491396 0.992832 0.347916 Se\n0.144916 0.143479 0.152083 Se\n0.355085 0.507168 0.998563 Se\n0.643480 0.644916 0.652083 Se\n0.492834 0.991396 0.847916 Se\n0.856521 0.508604 0.001436 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"Se"
],
"chemical_system": "Pb-Pr-Se",
"density": 7.138751254192067,
"density_atomic": 0.037389820807242555,
"volume": 374.43346070511643,
"volume_molar": 16.106364325858145,
"formula_full": "Pr4 Pb2 Se8",
"formula_reduced": "Pr2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2747377123809525,
"spacegroup": 122
},
{
"id": "jvasp-78770",
"created_at": "2022-09-04T14:36:36.109778Z",
"updated_at": "2022-09-04T14:36:36.109793Z",
"structure_string": "Pu1 Sb1\n1.0\n3.767881 -0.000000 -0.000000\n-0.000000 3.767881 -0.000000\n0.000000 -0.000000 3.767881\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.354127631059479,
"density_atomic": 0.03738853610284059,
"volume": 53.49233236890626,
"volume_molar": 16.106917755312885,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.91117305,
"spacegroup": 221
},
{
"id": "jvasp-18025",
"created_at": "2022-09-04T14:38:15.817631Z",
"updated_at": "2022-09-04T14:38:15.817655Z",
"structure_string": "Pu1 Sb1\n1.0\n3.767890 -0.000000 0.000000\n0.000000 3.767890 0.000000\n-0.000000 0.000000 3.767890\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.354046269683806,
"density_atomic": 0.03738826818417431,
"volume": 53.49271568685707,
"volume_molar": 16.107033175045668,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.91117805,
"spacegroup": 221
},
{
"id": "jvasp-90629",
"created_at": "2022-09-04T14:37:40.639224Z",
"updated_at": "2022-09-04T14:37:40.639253Z",
"structure_string": "Np2 Se6\n1.0\n0.000000 -4.036732 0.000000\n-5.618296 0.000000 0.725365\n0.007217 0.000000 -9.435745\nNp Se\n2 6\ndirect\n0.750000 0.718403 0.851276 Np\n0.250000 0.281597 0.148725 Np\n0.750000 0.536648 0.327148 Se\n0.250000 0.463352 0.672853 Se\n0.750000 0.233753 0.929724 Se\n0.250000 0.766247 0.070277 Se\n0.750000 0.119489 0.337727 Se\n0.250000 0.880511 0.662274 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Se"
],
"chemical_system": "Np-Se",
"density": 7.354948428022942,
"density_atomic": 0.03738713153659276,
"volume": 213.97736791253905,
"volume_molar": 16.10752286279522,
"formula_full": "Np2 Se6",
"formula_reduced": "NpSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.581512525,
"spacegroup": 11
},
{
"id": "jvasp-106552",
"created_at": "2022-09-04T14:36:49.242727Z",
"updated_at": "2022-09-04T14:36:49.242740Z",
"structure_string": "Li1 Pm2 Sn1\n1.0\n4.614756 -0.000000 2.664331\n1.538252 4.350834 2.664331\n-0.000000 -0.000000 5.328661\nLi Pm Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Pm\n0.750001 0.749999 0.750000 Pm\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Sn"
],
"chemical_system": "Li-Pm-Sn",
"density": 6.451171362842372,
"density_atomic": 0.037387002102574986,
"volume": 106.98905435171291,
"volume_molar": 16.107578627132643,
"formula_full": "Li1 Pm2 Sn1",
"formula_reduced": "LiPm2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9533010125,
"spacegroup": 225
},
{
"id": "jvasp-3792",
"created_at": "2022-09-04T14:36:20.755375Z",
"updated_at": "2022-09-04T14:36:20.755396Z",
"structure_string": "Ir2 Br6\n1.0\n6.083443 -0.000000 2.029656\n3.041722 5.557939 1.014828\n0.007808 -0.000000 6.331243\nIr Br\n2 6\ndirect\n0.833415 0.333169 0.000001 Ir\n0.166584 0.666831 0.000000 Ir\n0.572509 0.349133 0.767469 Br\n0.078358 0.349133 0.232532 Br\n0.776379 0.000000 0.234549 Br\n0.223621 0.000000 0.765451 Br\n0.921642 0.650868 0.767469 Br\n0.427490 0.650868 0.232532 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Ir",
"density": 6.703752706249051,
"density_atomic": 0.03738664681576282,
"volume": 213.98014214602068,
"volume_molar": 16.107731698101812,
"formula_full": "Ir2 Br6",
"formula_reduced": "IrBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.01720085375,
"spacegroup": 12
}
]
}