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=formula_anonymous&page=4624",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4622",
"results": [
{
"id": "jvasp-107876",
"created_at": "2022-09-04T14:36:53.158041Z",
"updated_at": "2022-09-04T14:36:53.158075Z",
"structure_string": "Ba1 Ni1 I1 O6\n1.0\n5.164955 -0.000000 0.000000\n-2.582478 4.472983 0.000000\n-0.000000 -0.000000 5.804889\nBa Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 I\n0.387694 0.006355 0.688772 O\n0.993646 0.381338 0.688772 O\n0.618661 0.612306 0.688772 O\n0.993646 0.612306 0.311228 O\n0.618662 0.006355 0.311228 O\n0.387694 0.381338 0.311228 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"I",
"O"
],
"chemical_system": "Ba-I-Ni-O",
"density": 5.1870901937719225,
"density_atomic": 0.06710962315963248,
"volume": 134.10893365608473,
"volume_molar": 8.973587507227153,
"formula_full": "Ba1 Ni1 I1 O6",
"formula_reduced": "BaNiIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.8246628494444448,
"spacegroup": 149
},
{
"id": "jvasp-87138",
"created_at": "2022-09-04T14:36:14.109030Z",
"updated_at": "2022-09-04T14:36:14.109041Z",
"structure_string": "Sr1 Ge1 Te1 O6\n1.0\n5.148039 0.000000 -0.000000\n-2.574020 4.458332 0.000000\n0.000000 -0.000000 5.422226\nSr Ge Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Te\n0.382263 0.378418 0.701621 O\n0.621582 0.003844 0.701621 O\n0.996156 0.617737 0.701621 O\n0.382263 0.003844 0.298380 O\n0.996156 0.378418 0.298380 O\n0.621581 0.617737 0.298380 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Ge",
"Te",
"O"
],
"chemical_system": "Ge-O-Sr-Te",
"density": 5.121840310565287,
"density_atomic": 0.07231870819403534,
"volume": 124.44912561010453,
"volume_molar": 8.327223909810781,
"formula_full": "Sr1 Ge1 Te1 O6",
"formula_reduced": "SrGeTeO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.837772336296296,
"spacegroup": 149
},
{
"id": "jvasp-109216",
"created_at": "2022-09-04T14:38:18.764483Z",
"updated_at": "2022-09-04T14:38:18.764508Z",
"structure_string": "Na1 Ni1 I1 O6\n1.0\n5.003589 -0.000000 0.000000\n-2.501795 4.333235 0.000000\n0.000000 0.000000 5.091185\nNa Ni I O\n1 1 1 6\ndirect\n0.333333 0.666667 -0.000000 Na\n0.666667 0.333334 0.500000 Ni\n0.000000 0.000000 0.500000 I\n0.337594 0.041255 0.709221 O\n0.958745 0.662407 0.290778 O\n0.337594 0.296339 0.290778 O\n0.703662 0.041255 0.290778 O\n0.958745 0.296339 0.709221 O\n0.703661 0.662407 0.709221 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Ni",
"I",
"O"
],
"chemical_system": "I-Na-Ni-O",
"density": 4.581877665034382,
"density_atomic": 0.08153231235237617,
"volume": 110.38568317678416,
"volume_molar": 7.386201355326202,
"formula_full": "Na1 Ni1 I1 O6",
"formula_reduced": "NaNiIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.809716519444444,
"spacegroup": 149
},
{
"id": "jvasp-109492",
"created_at": "2022-09-04T14:38:18.961814Z",
"updated_at": "2022-09-04T14:38:18.961825Z",
"structure_string": "K1 Ni1 Te1 O6\n1.0\n5.055826 0.000000 0.000000\n-2.527912 4.378474 0.000000\n0.000000 0.000000 5.960764\nK Ni Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 Te\n0.372441 0.987921 0.681973 O\n0.012078 0.384518 0.681973 O\n0.615482 0.627559 0.681973 O\n0.012078 0.627559 0.318027 O\n0.615482 0.987921 0.318027 O\n0.372441 0.384518 0.318027 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Ni",
"Te",
"O"
],
"chemical_system": "K-Ni-O-Te",
"density": 4.04447418753308,
"density_atomic": 0.06820648797928455,
"volume": 131.9522565468178,
"volume_molar": 8.829278472495204,
"formula_full": "K1 Ni1 Te1 O6",
"formula_reduced": "KNiTeO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.9197765740740744,
"spacegroup": 149
},
{
"id": "jvasp-45916",
"created_at": "2022-09-04T14:38:08.005055Z",
"updated_at": "2022-09-04T14:38:08.005088Z",
"structure_string": "Li2 V2 W2 O12\n1.0\n5.072460 0.016854 0.006999\n1.290336 6.625358 -0.014411\n2.410500 2.541825 6.336900\nLi V W O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.046717 0.350004 0.230073 V\n0.953284 0.649995 0.769927 V\n0.449443 0.647306 0.265028 W\n0.550558 0.352693 0.734973 W\n0.745220 0.436842 0.435364 O\n0.244326 0.438233 0.936294 O\n0.440328 0.104110 0.774586 O\n0.951201 0.111213 0.280775 O\n0.048801 0.888786 0.719225 O\n0.755676 0.561766 0.063707 O\n0.254781 0.563157 0.564637 O\n0.683871 0.694952 0.662672 O\n0.316130 0.305047 0.337328 O\n0.170231 0.724154 0.148818 O\n0.559673 0.895889 0.225414 O\n0.829770 0.275845 0.851182 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"W",
"O"
],
"chemical_system": "Li-O-V-W",
"density": 5.267615708647697,
"density_atomic": 0.0845380313338209,
"volume": 212.92192065512162,
"volume_molar": 7.123587650414966,
"formula_full": "Li2 V2 W2 O12",
"formula_reduced": "LiVWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.338506133333333,
"spacegroup": 2
},
{
"id": "jvasp-34433",
"created_at": "2022-09-04T14:38:14.382832Z",
"updated_at": "2022-09-04T14:38:14.382850Z",
"structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li-Mn",
"density": 3.909135364401023,
"density_atomic": 0.09143679119625292,
"volume": 295.28595269763207,
"volume_molar": 6.5861243392438595,
"formula_full": "Li3 Mn3 Fe3 F18",
"formula_reduced": "LiMnFeF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.7111949373754787,
"spacegroup": 150
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-34311",
"created_at": "2022-09-04T14:37:07.937548Z",
"updated_at": "2022-09-04T14:37:07.937576Z",
"structure_string": "H6 C1 N1 F1\n1.0\n3.979804 -0.017716 3.237012\n1.529381 3.674254 3.237012\n-0.026692 -0.017716 5.129948\nH C N F\n6 1 1 1\ndirect\n0.225813 0.615187 0.225813 H\n0.615188 0.225811 0.225813 H\n0.656634 0.656632 0.253236 H\n0.225813 0.225811 0.615189 H\n0.253236 0.656632 0.656635 H\n0.656634 0.253233 0.656635 H\n0.493964 0.493962 0.493965 C\n0.382532 0.382530 0.382532 N\n0.991654 0.991650 0.991654 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N",
"density": 1.1214090014391354,
"density_atomic": 0.11902751149922798,
"volume": 75.61277125463867,
"volume_molar": 5.059452797212399,
"formula_full": "H6 C1 N1 F1",
"formula_reduced": "H6CNF",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.4150492813888897,
"spacegroup": 160
},
{
"id": "jvasp-10913",
"created_at": "2022-09-04T14:37:18.414536Z",
"updated_at": "2022-09-04T14:37:18.414554Z",
"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Ca-O",
"density": 5.312126144584036,
"density_atomic": 0.0685546479510628,
"volume": 262.5642540364172,
"volume_molar": 8.784438313065015,
"formula_full": "Ca2 Bi2 As2 O12",
"formula_reduced": "CaBiAsO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.0939597188888888,
"spacegroup": 4
},
{
"id": "jvasp-57322",
"created_at": "2022-09-04T14:37:26.941087Z",
"updated_at": "2022-09-04T14:37:26.941123Z",
"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F-Li",
"density": 3.179961238501137,
"density_atomic": 0.08091413237236955,
"volume": 222.4580487023379,
"volume_molar": 7.442631569335633,
"formula_full": "Li2 Ca2 Cr2 F12",
"formula_reduced": "LiCaCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1752277238888892,
"spacegroup": 163
},
{
"id": "jvasp-111787",
"created_at": "2022-09-04T14:38:53.034869Z",
"updated_at": "2022-09-04T14:38:53.034903Z",
"structure_string": "Rb2 Sb2 W2 O12\n1.0\n6.395292 -0.026651 -3.573809\n-2.148307 5.919981 -3.743152\n0.068839 0.026651 7.325785\nRb Sb W O\n2 2 2 12\ndirect\n0.659510 0.382327 0.777182 Rb\n0.394855 0.617673 0.277182 Rb\n-0.003731 0.500000 0.496269 Sb\n-0.003731 -0.000000 -0.003731 Sb\n0.515497 0.991197 0.024302 W\n0.033105 0.008803 0.524302 W\n0.316656 0.688792 0.752840 O\n0.934674 0.066754 0.743406 O\n0.317505 0.063209 0.754296 O\n0.916100 0.672183 0.743917 O\n0.064048 0.311207 0.627863 O\n0.064048 0.936184 0.252841 O\n0.676653 0.308733 0.243406 O\n0.316656 0.063816 0.127863 O\n0.691089 0.936791 0.254297 O\n0.071735 0.327817 0.243917 O\n0.676652 0.933246 0.867921 O\n0.934674 0.691267 0.367921 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"W",
"O"
],
"chemical_system": "O-Rb-Sb-W",
"density": 5.7927734335612335,
"density_atomic": 0.0644605111970347,
"volume": 279.2407268533736,
"volume_molar": 9.342372016865154,
"formula_full": "Rb2 Sb2 W2 O12",
"formula_reduced": "RbSbWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8015374555555552,
"spacegroup": 46
},
{
"id": "jvasp-119208",
"created_at": "2022-09-04T14:38:50.291288Z",
"updated_at": "2022-09-04T14:38:50.291315Z",
"structure_string": "Ba2 Sr2 Pd2 F12\n1.0\n9.033410 -0.013633 0.000000\n-7.019542 5.685834 0.000000\n-0.000000 -0.000000 6.012476\nBa Sr Pd F\n2 2 2 12\ndirect\n0.336290 0.663709 0.500000 Ba\n0.836291 0.163710 -0.000000 Ba\n0.659918 0.340082 0.500000 Sr\n0.159918 0.840081 -0.000000 Sr\n0.004216 0.995782 0.500000 Pd\n0.504217 0.495783 -0.000000 Pd\n0.252637 0.077351 0.334510 F\n0.922649 0.747363 0.665491 F\n0.581308 0.742061 0.162164 F\n0.257939 0.418691 0.837836 F\n0.757939 0.918691 0.662165 F\n0.484682 -0.000359 0.748731 F\n0.000360 0.515318 0.251270 F\n0.752637 0.577351 0.165491 F\n0.984682 0.499641 0.751270 F\n0.500360 0.015318 0.248731 F\n0.081308 0.242061 0.337836 F\n0.422649 0.247363 0.834510 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Pd",
"F"
],
"chemical_system": "Ba-F-Pd-Sr",
"density": 4.798422152073696,
"density_atomic": 0.058396009925747366,
"volume": 308.24023803831204,
"volume_molar": 10.312589452014564,
"formula_full": "Ba2 Sr2 Pd2 F12",
"formula_reduced": "BaSrPdF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 41
}
]
}