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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3483",
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"results": [
{
"id": "jvasp-42158",
"created_at": "2022-09-04T14:36:36.697968Z",
"updated_at": "2022-09-04T14:36:36.697995Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n2.753108 4.035830 0.000000\n-2.753108 4.035830 0.000000\n0.000000 0.000000 6.226160\nLi Mn Si O\n2 2 2 8\ndirect\n0.327466 0.327466 0.750000 Li\n0.672535 0.672535 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.346907 0.346907 0.250000 Si\n0.653093 0.653093 0.750000 Si\n0.286548 0.763890 0.750000 O\n0.236110 0.713452 0.250000 O\n0.232134 0.232134 0.033665 O\n0.232134 0.232134 0.466335 O\n0.767866 0.767866 0.533665 O\n0.767866 0.767866 0.966335 O\n0.763890 0.286548 0.750000 O\n0.713452 0.236110 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:36:36.789080Z",
"structure_string": "Li2 Bi6 Cl4 O8\n1.0\n-3.883957 3.883957 0.000000\n1.941979 -1.941979 6.103036\n7.738483 7.738483 -0.000000\nLi Bi Cl O\n2 6 4 8\ndirect\n0.783759 0.567519 0.000000 Li\n0.216242 0.432481 0.500000 Li\n0.655134 0.310267 0.260248 Bi\n0.140435 0.280870 0.000000 Bi\n0.859566 0.719130 0.500000 Bi\n0.344867 0.689733 0.239752 Bi\n0.655134 0.310267 0.739751 Bi\n0.344867 0.689733 0.760248 Bi\n0.000000 0.000000 0.750000 Cl\n0.000000 0.000000 0.250000 Cl\n0.496760 0.993519 0.500000 Cl\n0.503241 0.006481 0.000000 Cl\n0.487450 0.479916 0.125690 O\n0.512551 0.520085 0.374310 O\n0.992468 0.479916 0.125690 O\n0.007533 0.520085 0.374310 O\n0.512551 0.520085 0.625690 O\n0.487450 0.479916 0.874310 O\n0.007533 0.520085 0.625690 O\n0.992468 0.479916 0.874310 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Li2 Bi6 Cl4 O8",
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"formula_anonymous": "AB2C3D4",
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{
"id": "jvasp-2523",
"created_at": "2022-09-04T14:36:37.069537Z",
"updated_at": "2022-09-04T14:36:37.069563Z",
"structure_string": "K2 Au2 S2\n1.0\n4.996287 0.003770 0.000000\n-1.074910 4.879290 0.000000\n0.000000 0.000000 6.741963\nK Au S\n2 2 2\ndirect\n0.625609 0.374390 0.250000 K\n0.374391 0.625609 0.750000 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.207462 0.792538 0.250000 S\n0.792539 0.207462 0.750000 S\n",
"nsites": 6,
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"elements": [
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"S"
],
"chemical_system": "Au-K-S",
"density": 5.417036090077577,
"density_atomic": 0.036499649184239966,
"volume": 164.3851416136546,
"volume_molar": 16.499174360832697,
"formula_full": "K2 Au2 S2",
"formula_reduced": "KAuS",
"formula_anonymous": "ABC",
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"spacegroup": 63
},
{
"id": "jvasp-2319",
"created_at": "2022-09-04T14:36:38.405851Z",
"updated_at": "2022-09-04T14:36:38.405874Z",
"structure_string": "Ba2 Pd2 S4\n1.0\n5.643232 0.000000 0.000000\n0.000000 5.763369 -2.699934\n0.000000 -0.018411 6.364411\nBa Pd S\n2 2 4\ndirect\n0.750000 0.349410 0.650591 Ba\n0.250000 0.650591 0.349410 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.750000 0.858684 0.664518 S\n0.250000 0.141317 0.335482 S\n0.750000 0.335482 0.141317 S\n0.250000 0.664518 0.858684 S\n",
"nsites": 8,
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"elements": [
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"S"
],
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"density": 4.946325987953769,
"density_atomic": 0.038700482796178444,
"volume": 206.71576740096833,
"volume_molar": 15.560893107500634,
"formula_full": "Ba2 Pd2 S4",
"formula_reduced": "BaPdS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9693854175,
"spacegroup": 63
},
{
"id": "jvasp-99544",
"created_at": "2022-09-04T14:36:40.039362Z",
"updated_at": "2022-09-04T14:36:40.039391Z",
"structure_string": "Tm2 Si2 Ru4 C2\n1.0\n5.904839 -0.012133 0.000000\n-4.710156 3.561137 0.000000\n-0.000000 -0.000000 7.113833\nTm Si Ru C\n2 2 4 2\ndirect\n0.545725 0.454276 0.250000 Tm\n0.454276 0.545726 0.750000 Tm\n0.267885 0.732116 0.250000 Si\n0.732116 0.267886 0.750000 Si\n0.837001 0.163000 0.055070 Ru\n0.163000 0.837002 0.944929 Ru\n0.163000 0.837002 0.555070 Ru\n0.837001 0.163000 0.444929 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Si",
"Ru",
"C"
],
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"density": 9.153399995625538,
"density_atomic": 0.06703189466538913,
"volume": 149.18271443643593,
"volume_molar": 8.983993052951012,
"formula_full": "Tm2 Si2 Ru4 C2",
"formula_reduced": "TmSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-101053",
"created_at": "2022-09-04T14:36:37.512420Z",
"updated_at": "2022-09-04T14:36:37.512437Z",
"structure_string": "Pr2 In4 Ir2\n1.0\n5.697208 -0.031242 0.000000\n-3.979002 4.077584 0.000000\n-0.000000 -0.000000 8.080679\nPr In Ir\n2 4 2\ndirect\n0.569659 0.430341 0.250000 Pr\n0.430341 0.569659 0.750000 Pr\n0.855629 0.144372 0.050833 In\n0.144371 0.855628 0.949167 In\n0.144371 0.855628 0.550833 In\n0.855629 0.144372 0.449167 In\n0.280331 0.719668 0.250000 Ir\n0.719669 0.280331 0.750000 Ir\n",
"nsites": 8,
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"elements": [
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"In",
"Ir"
],
"chemical_system": "In-Ir-Pr",
"density": 10.009679882166024,
"density_atomic": 0.04284571157118067,
"volume": 186.71646955167023,
"volume_molar": 14.055410773130152,
"formula_full": "Pr2 In4 Ir2",
"formula_reduced": "PrIn2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1911577224999998,
"spacegroup": 63
},
{
"id": "jvasp-8763",
"created_at": "2022-09-04T14:36:37.977649Z",
"updated_at": "2022-09-04T14:36:37.977680Z",
"structure_string": "Ag4 S2\n1.0\n4.228788 -0.019291 -0.013082\n1.548106 3.935133 -0.030056\n0.030667 0.052059 7.394042\nAg S\n4 2\ndirect\n0.760510 0.718813 0.739558 Ag\n0.375510 0.333821 0.989656 Ag\n0.145311 0.103704 0.489459 Ag\n0.760388 0.718664 0.239586 Ag\n0.535981 0.494341 0.489843 S\n0.984809 0.943155 0.989398 S\n",
"nsites": 6,
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"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.676082212649372,
"density_atomic": 0.04867321995412518,
"volume": 123.27107197048065,
"volume_molar": 12.37259578403875,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-78793",
"created_at": "2022-09-04T14:36:38.251567Z",
"updated_at": "2022-09-04T14:36:38.251584Z",
"structure_string": "Ce2 Rh2\n1.0\n-3.843228 -0.000000 -0.000000\n-0.000000 0.000000 -4.037091\n1.921615 -5.628143 -0.000000\nCe Rh\n2 2\ndirect\n0.863150 0.750000 0.726297 Ce\n0.136851 0.250000 0.273702 Ce\n0.598117 0.750000 0.196232 Rh\n0.401884 0.250000 0.803767 Rh\n",
"nsites": 4,
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"elements": [
"Ce",
"Rh"
],
"chemical_system": "Ce-Rh",
"density": 9.2425961678948,
"density_atomic": 0.04580682378319124,
"volume": 87.32323417428901,
"volume_molar": 13.14682019540027,
"formula_full": "Ce2 Rh2",
"formula_reduced": "CeRh",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-100275",
"created_at": "2022-09-04T14:36:38.234264Z",
"updated_at": "2022-09-04T14:36:38.234284Z",
"structure_string": "Nd2 Lu2 S6\n1.0\n6.638846 0.000352 0.000000\n-5.561604 3.625305 -0.000000\n-0.000000 -0.000000 9.848895\nNd Lu S\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.245714 0.754284 0.250000 Lu\n0.754286 0.245714 0.750000 Lu\n0.892799 0.107201 0.250000 S\n0.107201 0.892797 0.750000 S\n0.649440 0.350559 0.081999 S\n0.350560 0.649439 0.581999 S\n0.649440 0.350559 0.418002 S\n0.350560 0.649439 0.918002 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.819555188838265,
"density_atomic": 0.04218324874084461,
"volume": 237.060925805777,
"volume_molar": 14.276142638983055,
"formula_full": "Nd2 Lu2 S6",
"formula_reduced": "NdLuS3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
"nsites": 14,
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"density_atomic": 0.07061087817794418,
"volume": 198.26973352064897,
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"formula_full": "Sb4 O10",
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"formula_anonymous": "A2B5",
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"spacegroup": 63
},
{
"id": "jvasp-99887",
"created_at": "2022-09-04T14:36:38.368455Z",
"updated_at": "2022-09-04T14:36:38.368473Z",
"structure_string": "Sm2 P2 Os4 C2\n1.0\n5.896377 -0.006300 0.000000\n-4.600788 3.687825 -0.000000\n0.000000 -0.000000 7.123820\nSm P Os C\n2 2 4 2\ndirect\n0.544945 0.455054 0.250000 Sm\n0.455054 0.544945 0.750000 Sm\n0.269803 0.730195 0.250000 P\n0.730196 0.269803 0.750000 P\n0.833408 0.166592 0.052768 Os\n0.166591 0.833406 0.947232 Os\n0.166591 0.833406 0.552768 Os\n0.833408 0.166592 0.447232 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "C-Os-P-Sm",
"density": 12.318386111789117,
"density_atomic": 0.06464140664599714,
"volume": 154.6996038431543,
"volume_molar": 9.316227898597122,
"formula_full": "Sm2 P2 Os4 C2",
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"spacegroup": 63
},
{
"id": "jvasp-3975",
"created_at": "2022-09-04T14:36:38.749640Z",
"updated_at": "2022-09-04T14:36:38.749662Z",
"structure_string": "Rb2 Li2 Br4\n1.0\n4.164243 0.000000 -1.201901\n0.000000 7.542522 0.000000\n0.012378 0.000000 7.857788\nRb Li Br\n2 2 4\ndirect\n0.627272 0.750000 0.254543 Rb\n0.372729 0.250000 0.745457 Rb\n0.892279 0.750000 0.784558 Li\n0.107721 0.250000 0.215442 Li\n0.304414 0.750000 0.608827 Br\n0.695585 0.250000 0.391173 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Rb2 Li2 Br4",
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}
]
}