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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1596",
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"results": [
{
"id": "jvasp-98128",
"created_at": "2022-09-04T14:35:49.699443Z",
"updated_at": "2022-09-04T14:35:49.699473Z",
"structure_string": "Pr12 Ru4 Cl12\n1.0\n4.117783 -0.000000 0.000000\n-0.000000 12.322337 0.000000\n0.000000 0.000000 14.268725\nPr Ru Cl\n12 4 12\ndirect\n0.250000 0.834498 0.086738 Pr\n0.250000 0.420999 0.857240 Pr\n0.250000 0.079001 0.357240 Pr\n0.749999 0.920999 0.642760 Pr\n0.749999 0.165502 0.913262 Pr\n0.749999 0.825432 0.396389 Pr\n0.749999 0.579001 0.142760 Pr\n0.250000 0.665503 0.586738 Pr\n0.250000 0.174568 0.603611 Pr\n0.749999 0.334498 0.413262 Pr\n0.749999 0.674568 0.896389 Pr\n0.250000 0.325432 0.103611 Pr\n0.749999 0.098778 0.487130 Ru\n0.250000 0.598778 0.012871 Ru\n0.749999 0.401223 0.987130 Ru\n0.250000 0.901223 0.512871 Ru\n0.749999 0.902345 0.952857 Cl\n0.250000 0.097655 0.047143 Cl\n0.250000 0.402345 0.547143 Cl\n0.749999 0.936794 0.209608 Cl\n0.749999 0.597655 0.452857 Cl\n0.749999 0.215103 0.235308 Cl\n0.250000 0.063206 0.790393 Cl\n0.250000 0.715103 0.264692 Cl\n0.749999 0.284897 0.735308 Cl\n0.749999 0.563206 0.709608 Cl\n0.250000 0.436794 0.290392 Cl\n0.250000 0.784897 0.764692 Cl\n",
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"Cl"
],
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"volume": 724.0052347102701,
"volume_molar": 15.571647980007445,
"formula_full": "Pr12 Ru4 Cl12",
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"formula_anonymous": "AB3C3",
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"spacegroup": 62
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{
"id": "jvasp-21246",
"created_at": "2022-09-04T14:37:04.396180Z",
"updated_at": "2022-09-04T14:37:04.396192Z",
"structure_string": "Pr4 Rh4 O12\n1.0\n5.423285 0.000000 0.000000\n0.000000 5.876873 0.000000\n0.000000 0.000000 7.865688\nPr Rh O\n4 4 12\ndirect\n0.476490 0.574456 0.750000 Pr\n0.976490 0.925544 0.250000 Pr\n0.023511 0.074456 0.750000 Pr\n0.523511 0.425544 0.250000 Pr\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.893658 0.468246 0.750000 O\n0.393658 0.031754 0.250000 O\n0.813591 0.197247 0.051607 O\n0.313591 0.302752 0.948393 O\n0.686410 0.697247 0.448393 O\n0.313591 0.302752 0.551607 O\n0.186410 0.802752 0.948393 O\n0.686410 0.697247 0.051607 O\n0.106343 0.531754 0.250000 O\n0.813591 0.197247 0.448393 O\n0.186410 0.802752 0.551607 O\n0.606343 0.968245 0.750000 O\n",
"nsites": 20,
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"elements": [
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"Rh",
"O"
],
"chemical_system": "O-Pr-Rh",
"density": 7.731536659761707,
"density_atomic": 0.0797782575493988,
"volume": 250.6948711886315,
"volume_molar": 7.548599010540038,
"formula_full": "Pr4 Rh4 O12",
"formula_reduced": "PrRhO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-37116",
"created_at": "2022-09-04T14:38:07.313414Z",
"updated_at": "2022-09-04T14:38:07.313429Z",
"structure_string": "Pr1 Rh1 C2\n1.0\n-3.765869 0.000000 0.000000\n0.000000 -2.361005 -3.327785\n0.000000 -2.361005 3.327785\nPr Rh C\n1 1 2\ndirect\n0.000000 0.009456 0.990546 Pr\n0.500000 0.385341 0.614661 Rh\n0.500000 0.837262 0.447057 C\n0.500000 0.552945 0.162740 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Rh",
"C"
],
"chemical_system": "C-Pr-Rh",
"density": 7.515680783581927,
"density_atomic": 0.0675946962056964,
"volume": 59.17624051194284,
"volume_molar": 8.909191250263355,
"formula_full": "Pr1 Rh1 C2",
"formula_reduced": "PrRhC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.070863212499999,
"spacegroup": 38
},
{
"id": "jvasp-16318",
"created_at": "2022-09-04T14:37:47.535673Z",
"updated_at": "2022-09-04T14:37:47.535692Z",
"structure_string": "Pr1 Rh3 C1\n1.0\n4.243752 0.000000 0.000000\n0.000000 4.243752 0.000000\n-0.000000 -0.000000 4.243752\nPr Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"elements": [
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"Rh",
"C"
],
"chemical_system": "C-Pr-Rh",
"density": 10.029925240537972,
"density_atomic": 0.0654214273810459,
"volume": 76.42755898426967,
"volume_molar": 9.20515036292949,
"formula_full": "Pr1 Rh3 C1",
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"formula_anonymous": "ABC3",
"energy_above_hull": 3.4166477700000004,
"spacegroup": 221
},
{
"id": "jvasp-35476",
"created_at": "2022-09-04T14:37:43.405721Z",
"updated_at": "2022-09-04T14:37:43.405729Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n0.000000 0.000000 4.132898\n4.174875 0.000000 0.000000\n-2.087437 7.088360 0.000000\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.188878 0.377756 Re\n0.500000 0.811123 0.622245 Re\n0.000000 0.303634 0.607269 Re\n0.000000 0.696366 0.392731 Re\n0.500000 0.411064 0.822128 Si\n0.500000 0.588937 0.177872 Si\n",
"nsites": 7,
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"elements": [
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"Re",
"Si"
],
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"density": 12.788306324103273,
"density_atomic": 0.05723400143172733,
"volume": 122.30492058728558,
"volume_molar": 10.521963534532222,
"formula_full": "Pr1 Re4 Si2",
"formula_reduced": "Pr(Re2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.767302721428571,
"spacegroup": 65
},
{
"id": "jvasp-22907",
"created_at": "2022-09-04T14:38:01.735928Z",
"updated_at": "2022-09-04T14:38:01.735957Z",
"structure_string": "Pr4 Pt4 F28\n1.0\n0.000000 9.193075 0.032712\n5.533654 0.000000 0.000000\n0.000000 -5.840374 -10.917677\nPr Pt F\n4 4 28\ndirect\n0.811037 0.762850 0.237230 Pr\n0.188964 0.262850 0.262770 Pr\n0.188964 0.237150 0.762771 Pr\n0.811037 0.737149 0.737230 Pr\n0.272871 0.756342 0.041701 Pt\n0.727130 0.256343 0.458300 Pt\n0.727130 0.243657 0.958300 Pt\n0.272872 0.743657 0.541701 Pt\n0.030347 0.747846 0.452541 F\n0.720784 0.954544 0.373096 F\n0.279217 0.454544 0.126904 F\n0.279217 0.045456 0.626904 F\n0.720785 0.545455 0.873096 F\n0.739092 0.429503 0.324702 F\n0.260909 0.570497 0.675298 F\n0.260909 0.929502 0.175298 F\n0.969654 0.247847 0.047460 F\n0.961441 0.384857 0.771815 F\n0.038561 0.884857 0.728186 F\n0.739092 0.070497 0.824702 F\n0.969654 0.252153 0.547460 F\n0.485489 0.275128 0.365505 F\n0.514513 0.724871 0.634495 F\n0.485489 0.224871 0.865505 F\n0.038560 0.615142 0.228186 F\n0.514512 0.775128 0.134495 F\n0.273005 0.063428 0.962188 F\n0.726997 0.563428 0.537812 F\n0.726997 0.936571 0.037812 F\n0.273004 0.436571 0.462188 F\n0.708336 0.077973 0.588195 F\n0.291666 0.577972 0.911806 F\n0.291666 0.922026 0.411805 F\n0.708335 0.422027 0.088195 F\n0.030347 0.752152 0.952541 F\n0.961441 0.115142 0.271815 F\n",
"nsites": 36,
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"elements": [
"Pr",
"Pt",
"F"
],
"chemical_system": "F-Pr-Pt",
"density": 5.6193783986828185,
"density_atomic": 0.06494218999178815,
"volume": 554.3391746498255,
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"formula_full": "Pr4 Pt4 F28",
"formula_reduced": "PrPtF7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
},
{
"id": "jvasp-22116",
"created_at": "2022-09-04T14:37:44.063348Z",
"updated_at": "2022-09-04T14:37:44.063374Z",
"structure_string": "Pr2 Pd4 O8\n1.0\n5.314017 0.000000 -2.645885\n-1.317404 5.148128 -2.645885\n-0.013159 -0.016951 6.632871\nPr Pd O\n2 4 8\ndirect\n0.875001 0.625000 0.749999 Pr\n0.125000 0.375000 0.250000 Pr\n0.500000 -0.000000 -0.000000 Pd\n-0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500001 0.500000 -0.000000 Pd\n0.825016 0.627824 0.350879 O\n0.723058 0.325015 0.850880 O\n0.127823 0.025866 0.850880 O\n0.525866 0.223058 0.350880 O\n0.174986 0.372177 0.649120 O\n0.276943 0.674986 0.149120 O\n0.474135 0.776943 0.649119 O\n0.872178 0.974135 0.149119 O\n",
"nsites": 14,
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"elements": [
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"Pd",
"O"
],
"chemical_system": "O-Pd-Pr",
"density": 7.665828974039864,
"density_atomic": 0.07735645300047239,
"volume": 180.98037664568858,
"volume_molar": 7.784923592558238,
"formula_full": "Pr2 Pd4 O8",
"formula_reduced": "Pr(PdO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.14013075,
"spacegroup": 88
},
{
"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,
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"elements": [
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],
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"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",
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"spacegroup": 122
},
{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.153901004651233,
"density_atomic": 0.04202624122518026,
"volume": 333.1251996814747,
"volume_molar": 14.329477451321058,
"formula_full": "Pr4 Pb2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-17694",
"created_at": "2022-09-04T14:38:12.757355Z",
"updated_at": "2022-09-04T14:38:12.757383Z",
"structure_string": "Pr3 Pb1 C1\n1.0\n5.905269 -0.000000 0.000000\n0.000000 5.905269 -0.000000\n0.000000 -0.000000 5.905269\nPr Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"volume": 205.92973321006954,
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"formula_full": "Pr3 Pb1 C1",
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"spacegroup": 221
},
{
"id": "jvasp-108663",
"created_at": "2022-09-04T14:38:19.589807Z",
"updated_at": "2022-09-04T14:38:19.589827Z",
"structure_string": "Pr1 Pb1 Au2\n1.0\n4.472581 0.000000 2.582246\n1.490860 4.216790 2.582246\n0.000000 -0.000000 5.164492\nPr Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500001 Pb\n0.750000 0.750000 0.750001 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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],
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"volume": 97.40198257582716,
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"formula_full": "Pr1 Pb1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-35032",
"created_at": "2022-09-04T14:37:42.104710Z",
"updated_at": "2022-09-04T14:37:42.104738Z",
"structure_string": "Pr2 Pb2 Au2\n1.0\n2.448414 -4.240778 -0.000000\n2.448414 4.240778 -0.000000\n-0.000000 0.000000 7.721352\nPr Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Pb\n0.666666 0.333332 0.750000 Pb\n0.333332 0.666666 0.750000 Au\n0.666666 0.333332 0.250000 Au\n",
"nsites": 6,
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"elements": [
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],
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"density": 11.28966343020255,
"density_atomic": 0.0374194595689726,
"volume": 160.34437881019184,
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"formula_full": "Pr2 Pb2 Au2",
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"formula_anonymous": "ABC",
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"spacegroup": 194
}
]
}