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=nsites&page=3547",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3545",
"results": [
{
"id": "jvasp-116478",
"created_at": "2022-09-04T14:38:50.996187Z",
"updated_at": "2022-09-04T14:38:50.996213Z",
"structure_string": "Pr4 Te10\n1.0\n22.666607 -0.004425 0.000000\n-22.227117 4.441886 0.000000\n-0.000000 -0.000000 4.468962\nPr Te\n4 10\ndirect\n0.098468 0.901534 0.250000 Pr\n0.901534 0.098468 0.750000 Pr\n0.307248 0.692754 0.250000 Pr\n0.692754 0.307248 0.750000 Pr\n0.958113 0.041889 0.250000 Te\n0.041889 0.958112 0.750000 Te\n0.541922 0.458079 0.250000 Te\n0.458079 0.541922 0.750000 Te\n0.749969 0.250033 0.250000 Te\n0.250033 0.749969 0.750000 Te\n0.173040 0.826962 0.250000 Te\n0.826962 0.173040 0.750000 Te\n0.379851 0.620151 0.250000 Te\n0.620151 0.379851 0.750000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Te"
],
"chemical_system": "Pr-Te",
"density": 6.795847109246943,
"density_atomic": 0.031145256577735803,
"volume": 449.50665168088244,
"volume_molar": 19.335659492704036,
"formula_full": "Pr4 Te10",
"formula_reduced": "Pr2Te5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.1272297904761903,
"spacegroup": 63
},
{
"id": "jvasp-119102",
"created_at": "2022-09-04T14:38:50.991242Z",
"updated_at": "2022-09-04T14:38:50.991270Z",
"structure_string": "Ga5 Cu1 Se8\n1.0\n5.507931 -0.000000 0.000000\n0.000000 5.507931 0.000000\n-0.000000 -0.000000 11.217505\nGa Cu Se\n5 1 8\ndirect\n-0.000000 0.500000 0.255433 Ga\n0.500000 0.000000 0.744567 Ga\n-0.000000 0.500000 0.744567 Ga\n0.500000 0.000000 0.255433 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.269756 0.269756 0.114750 Se\n0.730244 0.730244 0.114750 Se\n0.269756 0.730244 0.885250 Se\n0.730244 0.269756 0.885250 Se\n0.235657 0.235657 0.615975 Se\n0.764343 0.764343 0.615975 Se\n0.235657 0.764343 0.384025 Se\n0.764343 0.235657 0.384025 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 5.093428272837436,
"density_atomic": 0.04113909956480641,
"volume": 340.308858193306,
"volume_molar": 14.63848461367834,
"formula_full": "Ga5 Cu1 Se8",
"formula_reduced": "Ga5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.7101063577380953,
"spacegroup": 111
},
{
"id": "jvasp-121969",
"created_at": "2022-09-04T14:38:54.347567Z",
"updated_at": "2022-09-04T14:38:54.347591Z",
"structure_string": "Nd3 Al11\n1.0\n8.118249 -0.013158 -2.544177\n-0.826439 4.141854 -7.385189\n0.002196 0.013158 8.507573\nNd Al\n3 11\ndirect\n0.000000 0.000000 0.000000 Nd\n0.317802 0.317801 -0.000001 Nd\n0.682198 0.682197 -0.000001 Nd\n0.500000 0.000000 0.500000 Al\n0.285536 0.500000 0.785535 Al\n0.714464 0.499999 0.214463 Al\n0.965188 0.335189 0.629997 Al\n0.034813 0.664810 0.370002 Al\n0.705192 0.335189 0.370001 Al\n0.294808 0.664810 0.629997 Al\n0.864615 0.138493 0.726121 Al\n0.135385 0.861506 0.273878 Al\n0.412373 0.138493 0.273878 Al\n0.587628 0.861506 0.726120 Al\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 4.223689778053734,
"density_atomic": 0.048812607430875336,
"volume": 286.8111485301359,
"volume_molar": 12.337265057041039,
"formula_full": "Nd3 Al11",
"formula_reduced": "Nd3Al11",
"formula_anonymous": "A3B11",
"energy_above_hull": 2.0438468071428573,
"spacegroup": 71
},
{
"id": "jvasp-122496",
"created_at": "2022-09-04T14:38:54.586923Z",
"updated_at": "2022-09-04T14:38:54.586958Z",
"structure_string": "Ba2 Y1 Co3 O8\n1.0\n3.862903 0.000000 0.000001\n-0.000002 3.862909 -0.000002\n-0.000000 0.000000 11.706010\nBa Y Co O\n2 1 3 8\ndirect\n0.499999 0.500000 0.172042 Ba\n0.499999 0.500000 0.828001 Ba\n0.500001 0.500000 0.499995 Y\n0.000000 0.000001 0.347532 Co\n0.000000 -0.000000 0.000045 Co\n0.000001 0.999999 0.652464 Co\n0.000000 0.500001 0.380068 O\n0.500000 0.000001 0.380067 O\n0.500001 -0.000000 0.000018 O\n0.999998 -0.000000 0.185990 O\n0.000000 0.500000 0.619887 O\n0.500001 0.999999 0.619887 O\n0.999998 -0.000000 0.813984 O\n0.000001 0.500000 0.000018 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.3535856757476274,
"density_atomic": 0.08014766321866286,
"volume": 174.67758182549252,
"volume_molar": 7.5138070383538125,
"formula_full": "Ba2 Y1 Co3 O8",
"formula_reduced": "Ba2YCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.633249149285714,
"spacegroup": 123
},
{
"id": "jvasp-119342",
"created_at": "2022-09-04T14:38:50.859401Z",
"updated_at": "2022-09-04T14:38:50.859430Z",
"structure_string": "Li2 Mn1 Cu3 O8\n1.0\n5.052505 0.018464 2.922239\n1.694369 4.759964 2.922239\n0.026070 0.018464 5.836661\nLi Mn Cu O\n2 1 3 8\ndirect\n0.130664 0.130663 0.130664 Li\n0.869338 0.869334 0.869337 Li\n0.500001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.499999 0.500000 Cu\n0.500001 0.499999 0.000000 Cu\n0.267869 0.267867 0.267868 O\n0.274854 0.274852 0.717063 O\n0.717064 0.274852 0.274853 O\n0.274854 0.717061 0.274854 O\n0.725148 0.282936 0.725147 O\n0.282938 0.725145 0.725147 O\n0.725148 0.725145 0.282938 O\n0.732133 0.732130 0.732132 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.6072571598292384,
"density_atomic": 0.10025408769266306,
"volume": 139.64517878730413,
"volume_molar": 6.006878022232225,
"formula_full": "Li2 Mn1 Cu3 O8",
"formula_reduced": "Li2MnCu3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.0038026136699507,
"spacegroup": 166
},
{
"id": "jvasp-119410",
"created_at": "2022-09-04T14:38:50.835470Z",
"updated_at": "2022-09-04T14:38:50.835505Z",
"structure_string": "La4 H10\n1.0\n5.097551 -0.009250 -4.645973\n-1.000239 4.998463 -4.645973\n0.007596 0.009250 6.897103\nLa H\n4 10\ndirect\n0.504575 0.004574 0.500000 La\n0.245426 0.245426 -0.000000 La\n0.995426 0.495425 0.500000 La\n0.754574 0.754574 -0.000000 La\n0.605224 0.625000 0.480224 H\n0.144776 0.125000 0.519776 H\n0.605225 0.125000 0.980225 H\n0.144775 0.625000 0.019775 H\n0.375000 0.394775 0.519776 H\n0.875000 0.855224 0.480224 H\n0.875000 0.394775 0.019776 H\n0.375000 0.855224 0.980224 H\n0.750000 0.250000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"La",
"H"
],
"chemical_system": "H-La",
"density": 5.333911802111097,
"density_atomic": 0.07949459608571921,
"volume": 176.11259996722,
"volume_molar": 7.5755347615155015,
"formula_full": "La4 H10",
"formula_reduced": "La2H5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.611008571428572,
"spacegroup": 141
},
{
"id": "jvasp-116676",
"created_at": "2022-09-04T14:38:50.864813Z",
"updated_at": "2022-09-04T14:38:50.864839Z",
"structure_string": "Mn2 Cr3 Ga1 S8\n1.0\n6.205985 0.006784 3.602238\n2.077397 5.847967 3.602238\n0.009598 0.006784 7.175672\nMn Cr Ga S\n2 3 1 8\ndirect\n0.374968 0.374967 0.374968 Mn\n0.625033 0.625032 0.625033 Mn\n0.500000 -0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Ga\n0.240000 0.240000 0.240000 S\n0.779271 0.243546 0.243548 S\n0.243547 0.243546 0.779271 S\n0.243547 0.779271 0.243547 S\n0.760000 0.759999 0.760000 S\n0.220730 0.756453 0.756453 S\n0.756453 0.756453 0.220730 S\n0.756453 0.220728 0.756453 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Ga",
"S"
],
"chemical_system": "Cr-Ga-Mn-S",
"density": 3.781338690557607,
"density_atomic": 0.053842353511409466,
"volume": 260.01835148297016,
"volume_molar": 11.184765091525723,
"formula_full": "Mn2 Cr3 Ga1 S8",
"formula_reduced": "Mn2Cr3GaS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.263957071982759,
"spacegroup": 166
},
{
"id": "jvasp-117281",
"created_at": "2022-09-04T14:38:49.009885Z",
"updated_at": "2022-09-04T14:38:49.009904Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.836661 -0.066219 -2.848705\n1.601207 4.679338 -2.831413\n0.103826 0.047036 5.613284\nLi Co Ni O\n2 3 1 8\ndirect\n0.500007 0.500001 0.999989 Li\n0.000001 0.500000 0.499998 Li\n0.500000 1.000000 0.500002 Co\n0.499998 0.000002 0.000001 Co\n-0.000000 0.000001 0.500001 Co\n0.000001 0.999998 0.000002 Ni\n0.765115 0.210912 0.234897 O\n0.234886 0.789089 0.765106 O\n0.264858 0.210395 0.735127 O\n0.735141 0.789609 0.264877 O\n0.264942 0.205502 0.237105 O\n0.763023 0.205423 0.735172 O\n0.236978 0.794577 0.264834 O\n0.735058 0.794497 0.762900 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.840017832290836,
"density_atomic": 0.10813301572262107,
"volume": 129.47017066380815,
"volume_molar": 5.56919708541911,
"formula_full": "Li2 Co3 Ni1 O8",
"formula_reduced": "Li2Co3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.685407364285714,
"spacegroup": 12
},
{
"id": "jvasp-119481",
"created_at": "2022-09-04T14:38:50.680559Z",
"updated_at": "2022-09-04T14:38:50.680570Z",
"structure_string": "Sr4 Fe1 Mo1 O8\n1.0\n6.972037 -0.102758 0.000000\n-4.816454 5.041987 0.000000\n-0.000000 -0.000000 5.379414\nSr Fe Mo O\n4 1 1 8\ndirect\n0.351085 0.648916 -0.000000 Sr\n0.854067 0.145933 0.500000 Sr\n0.145935 0.854067 0.500000 Sr\n0.648917 0.351084 -0.000000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500000 0.500000 Mo\n0.160921 0.839081 -0.000000 O\n0.659486 0.340514 0.500000 O\n0.340515 0.659486 0.500000 O\n0.839080 0.160920 -0.000000 O\n0.248354 0.248354 0.248606 O\n0.751647 0.751646 0.751393 O\n0.248354 0.248354 0.751393 O\n0.751647 0.751646 0.248606 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Sr",
"density": 5.61345997237106,
"density_atomic": 0.0750913107987735,
"volume": 186.43968058456997,
"volume_molar": 8.019757140926568,
"formula_full": "Sr4 Fe1 Mo1 O8",
"formula_reduced": "Sr4FeMoO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.140966045714286,
"spacegroup": 65
},
{
"id": "jvasp-119357",
"created_at": "2022-09-04T14:38:50.674880Z",
"updated_at": "2022-09-04T14:38:50.674903Z",
"structure_string": "Li2 Mn3 Te1 O8\n1.0\n5.213517 0.123511 3.392153\n1.902529 4.856089 3.391838\n0.175944 0.123868 6.216235\nLi Mn Te O\n2 3 1 8\ndirect\n0.118297 0.118278 0.118328 Li\n0.881702 0.881723 0.881671 Li\n-0.000001 0.500001 0.499999 Mn\n0.500000 -0.000000 0.499999 Mn\n0.500002 0.499999 -0.000002 Mn\n0.500001 0.500001 0.500000 Te\n0.267923 0.267933 0.267926 O\n0.247902 0.247909 0.716833 O\n0.247862 0.716806 0.247869 O\n0.716810 0.247855 0.247872 O\n0.283189 0.752146 0.752128 O\n0.752137 0.283196 0.752130 O\n0.752098 0.752091 0.283167 O\n0.732075 0.732067 0.732074 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.753777400991895,
"density_atomic": 0.09228616851064435,
"volume": 151.70203970907332,
"volume_molar": 6.525507405051064,
"formula_full": "Li2 Mn3 Te1 O8",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9037183922003287,
"spacegroup": 166
},
{
"id": "jvasp-118971",
"created_at": "2022-09-04T14:38:50.670890Z",
"updated_at": "2022-09-04T14:38:50.670916Z",
"structure_string": "K2 Gd2 Ge2 S8\n1.0\n6.680460 0.000000 0.000000\n-0.000000 6.237253 1.949195\n-0.000000 0.091642 8.551302\nK Gd Ge S\n2 2 2 8\ndirect\n0.493764 0.261686 0.936993 K\n0.993764 0.738313 0.063006 K\n0.507523 0.230683 0.446785 Gd\n0.007523 0.769316 0.553215 Gd\n0.973264 0.219931 0.680128 Ge\n0.473264 0.780068 0.319872 Ge\n0.409687 0.568614 0.575772 S\n0.909686 0.431385 0.424228 S\n0.970300 0.421472 0.844588 S\n0.470300 0.578527 0.155412 S\n0.245890 0.012444 0.709432 S\n0.745890 0.987556 0.290567 S\n0.232573 0.030842 0.274487 S\n0.732573 0.969157 0.725513 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Gd",
"Ge",
"S"
],
"chemical_system": "Gd-Ge-K-S",
"density": 3.7150622162294913,
"density_atomic": 0.039423301054318266,
"volume": 355.11993226316844,
"volume_molar": 15.2755872769319,
"formula_full": "K2 Gd2 Ge2 S8",
"formula_reduced": "KGdGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.066029635714287,
"spacegroup": 4
},
{
"id": "jvasp-119461",
"created_at": "2022-09-04T14:38:50.610522Z",
"updated_at": "2022-09-04T14:38:50.610533Z",
"structure_string": "K2 La2 Cu2 Te8\n1.0\n4.484667 -0.000000 0.000000\n0.000000 4.484667 0.000000\n-0.000000 -0.000000 21.213413\nK La Cu Te\n2 2 2 8\ndirect\n-0.000000 0.500000 0.140023 K\n0.500000 0.000000 0.859977 K\n-0.000000 0.500000 0.600049 La\n0.500000 0.000000 0.399951 La\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.722102 Te\n0.500000 0.500000 0.277898 Te\n-0.000000 0.500000 0.442244 Te\n0.500000 0.000000 0.557756 Te\n-0.000000 0.500000 0.929605 Te\n0.500000 0.000000 0.070395 Te\n0.000000 0.000000 0.277898 Te\n0.500000 0.500000 0.722102 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"La",
"Cu",
"Te"
],
"chemical_system": "Cu-K-La-Te",
"density": 5.853248667092858,
"density_atomic": 0.03281384230237591,
"volume": 426.64921318849395,
"volume_molar": 18.35244012117399,
"formula_full": "K2 La2 Cu2 Te8",
"formula_reduced": "KLaCuTe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.5450163595238097,
"spacegroup": 129
}
]
}