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=-spacegroup&page=3462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3460",
"results": [
{
"id": "jvasp-57539",
"created_at": "2022-09-04T14:37:08.830257Z",
"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.782379849844911,
"density_atomic": 0.0798120121033417,
"volume": 300.7066150509333,
"volume_molar": 7.545406513749396,
"formula_full": "Al6 F18",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053999999999998,
"spacegroup": 63
},
{
"id": "jvasp-79646",
"created_at": "2022-09-04T14:37:08.862549Z",
"updated_at": "2022-09-04T14:37:08.862577Z",
"structure_string": "Pd2 N2\n1.0\n-1.512668 -3.635484 -0.000000\n-1.512668 3.635484 0.000000\n0.000000 -0.000000 -4.266098\nPd N\n2 2\ndirect\n0.614695 0.385306 0.750000 Pd\n0.385306 0.614695 0.250000 Pd\n0.671475 0.328526 0.250000 N\n0.328526 0.671475 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 8.523838216916776,
"density_atomic": 0.08524978858588568,
"volume": 46.920937475055005,
"volume_molar": 7.064112251648506,
"formula_full": "Pd2 N2",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy_above_hull": 2.780969475,
"spacegroup": 63
},
{
"id": "jvasp-10583",
"created_at": "2022-09-04T14:37:09.186241Z",
"updated_at": "2022-09-04T14:37:09.186267Z",
"structure_string": "K2 Hf2 Cu2 S6\n1.0\n3.723348 0.000000 0.000000\n-1.861674 6.961166 0.000000\n0.000000 -0.000000 9.749922\nK Hf Cu S\n2 2 2 6\ndirect\n0.255333 0.510663 0.250000 K\n0.744669 0.489337 0.750000 K\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.537866 0.075730 0.250000 Cu\n0.462136 0.924270 0.750000 Cu\n0.376628 0.753254 0.549020 S\n0.623374 0.246746 0.450980 S\n0.623374 0.246746 0.049020 S\n0.063447 0.126894 0.750000 S\n0.936555 0.873107 0.250000 S\n0.376628 0.753254 0.950980 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Hf",
"Cu",
"S"
],
"chemical_system": "Cu-Hf-K-S",
"density": 4.958871588637851,
"density_atomic": 0.04748587940750211,
"volume": 252.70670249194472,
"volume_molar": 12.681961111682782,
"formula_full": "K2 Hf2 Cu2 S6",
"formula_reduced": "KHfCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.5820269083333338,
"spacegroup": 63
},
{
"id": "jvasp-102601",
"created_at": "2022-09-04T14:37:08.994676Z",
"updated_at": "2022-09-04T14:37:08.994694Z",
"structure_string": "Tb2 Fe4 Si2 C2\n1.0\n5.551297 -0.009005 0.000000\n-4.272484 3.544412 0.000000\n-0.000000 -0.000000 6.720423\nTb Fe Si C\n2 4 2 2\ndirect\n0.551452 0.448549 0.250000 Tb\n0.448550 0.551451 0.750000 Tb\n0.834895 0.165107 0.062556 Fe\n0.165107 0.834893 0.937443 Fe\n0.165107 0.834893 0.562556 Fe\n0.834895 0.165107 0.437443 Fe\n0.271047 0.728954 0.250000 Si\n0.728955 0.271047 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tb",
"density": 7.819000676794771,
"density_atomic": 0.07577304849862465,
"volume": 131.9730458011269,
"volume_molar": 7.947602583403131,
"formula_full": "Tb2 Fe4 Si2 C2",
"formula_reduced": "TbFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6037756,
"spacegroup": 63
},
{
"id": "jvasp-52120",
"created_at": "2022-09-04T14:37:09.030071Z",
"updated_at": "2022-09-04T14:37:09.030104Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.676605 0.002362 -0.000000\n1.684086 4.362854 -0.000000\n0.000000 -0.000000 6.408085\nMn P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.349056 0.349055 0.250001 P\n0.650943 0.650944 0.750002 P\n0.708165 0.224238 0.250001 O\n0.760480 0.760481 0.549934 O\n0.239519 0.239519 0.049934 O\n0.239519 0.239519 0.450066 O\n0.775760 0.291834 0.750002 O\n0.291836 0.775759 0.750002 O\n0.760480 0.760481 0.950067 O\n0.224240 0.708163 0.250001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.8085794855373143,
"density_atomic": 0.09179864916207778,
"volume": 130.72087780739616,
"volume_molar": 6.560162720224166,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7712377902298853,
"spacegroup": 63
},
{
"id": "jvasp-28445",
"created_at": "2022-09-04T14:37:09.163401Z",
"updated_at": "2022-09-04T14:37:09.163420Z",
"structure_string": "Lu2 Te6\n1.0\n3.991748 0.000000 0.000000\n0.000000 0.000000 4.577874\n-1.995874 -13.779866 -0.000000\nLu Te\n2 6\ndirect\n0.949995 0.250000 0.899988 Lu\n0.050006 0.749999 0.100013 Lu\n0.837132 0.250000 0.674262 Te\n0.162870 0.749999 0.325738 Te\n0.687040 0.250000 0.374078 Te\n0.312962 0.749999 0.625922 Te\n0.552367 0.250000 0.104733 Te\n0.447635 0.749999 0.895267 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Te"
],
"chemical_system": "Lu-Te",
"density": 7.356308996146625,
"density_atomic": 0.03177006044757661,
"volume": 251.80940442970518,
"volume_molar": 18.955395977093154,
"formula_full": "Lu2 Te6",
"formula_reduced": "LuTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8857322625000001,
"spacegroup": 63
},
{
"id": "jvasp-57818",
"created_at": "2022-09-04T14:37:09.276632Z",
"updated_at": "2022-09-04T14:37:09.276652Z",
"structure_string": "Li4 S2 O8\n1.0\n4.908933 0.005219 -0.000000\n-1.838187 4.551783 -0.000000\n-0.000000 -0.000000 6.093329\nLi S O\n4 2 8\ndirect\n0.499999 0.500000 0.000000 Li\n0.173785 0.826214 0.750000 Li\n0.499999 0.500000 0.500000 Li\n0.826214 0.173786 0.250000 Li\n0.146627 0.853371 0.250000 S\n0.853371 0.146628 0.750000 S\n0.745464 0.818269 0.750000 O\n0.181730 0.254535 0.750000 O\n0.748399 0.251601 0.947200 O\n0.254535 0.181730 0.250000 O\n0.748399 0.251601 0.552801 O\n0.818268 0.745464 0.250000 O\n0.251600 0.748399 0.052801 O\n0.251600 0.748399 0.447199 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"S",
"O"
],
"chemical_system": "Li-O-S",
"density": 2.6806696154268406,
"density_atomic": 0.10278229974472611,
"volume": 136.2102233047024,
"volume_molar": 5.85912241208536,
"formula_full": "Li4 S2 O8",
"formula_reduced": "Li2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8237305714285716,
"spacegroup": 63
},
{
"id": "jvasp-85121",
"created_at": "2022-09-04T14:37:09.312483Z",
"updated_at": "2022-09-04T14:37:09.312492Z",
"structure_string": "In2 Cl2\n1.0\n4.068352 0.000000 -1.400808\n-0.000000 4.504202 0.000000\n-0.039296 -0.000000 6.494117\nIn Cl\n2 2\ndirect\n0.611163 0.242059 0.222327 In\n0.388835 0.742059 0.777673 In\n0.846357 0.241941 0.692716 Cl\n0.153641 0.741941 0.307284 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Cl"
],
"chemical_system": "Cl-In",
"density": 4.20245978098958,
"density_atomic": 0.033682885384543726,
"volume": 118.75467182617035,
"volume_molar": 17.878933741120104,
"formula_full": "In2 Cl2",
"formula_reduced": "InCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-9742",
"created_at": "2022-09-04T14:37:09.247741Z",
"updated_at": "2022-09-04T14:37:09.247752Z",
"structure_string": "Ti2 P2 O8\n1.0\n4.866199 0.043288 0.000000\n-1.804030 4.519652 -0.000000\n-0.000000 0.000000 5.904595\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.648609 0.351391 0.250000 P\n0.351391 0.648609 0.750001 P\n0.243785 0.756215 0.536508 O\n0.756215 0.243786 0.036508 O\n0.756215 0.243786 0.463492 O\n0.243785 0.756215 0.963493 O\n0.698065 0.765800 0.750001 O\n0.301936 0.234200 0.250000 O\n0.765800 0.698065 0.250000 O\n0.234200 0.301936 0.750001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 3.6399854806650396,
"density_atomic": 0.09207822588932958,
"volume": 130.3239705598043,
"volume_molar": 6.540244125943646,
"formula_full": "Ti2 P2 O8",
"formula_reduced": "TiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.599242972222222,
"spacegroup": 63
},
{
"id": "jvasp-28447",
"created_at": "2022-09-04T14:37:09.249484Z",
"updated_at": "2022-09-04T14:37:09.249507Z",
"structure_string": "Dy2 Te6\n1.0\n4.045407 0.000000 0.000000\n0.000000 0.000000 4.599574\n-2.022703 -13.958052 -0.000000\nDy Te\n2 6\ndirect\n0.948585 0.250000 0.897166 Dy\n0.051417 0.749999 0.102834 Dy\n0.835530 0.250000 0.671056 Te\n0.164472 0.749999 0.328944 Te\n0.687360 0.250000 0.374716 Te\n0.312642 0.749999 0.625284 Te\n0.552753 0.250000 0.105506 Te\n0.447249 0.749999 0.894494 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Te"
],
"chemical_system": "Dy-Te",
"density": 6.972843965279849,
"density_atomic": 0.030802455801168645,
"volume": 259.7195513124145,
"volume_molar": 19.550846201592538,
"formula_full": "Dy2 Te6",
"formula_reduced": "DyTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8872674500000002,
"spacegroup": 63
},
{
"id": "jvasp-10357",
"created_at": "2022-09-04T14:37:09.269525Z",
"updated_at": "2022-09-04T14:37:09.269544Z",
"structure_string": "Ca2 Mo4 O10\n1.0\n3.913150 -0.000000 -0.000000\n-1.956575 5.628314 0.000000\n-0.000000 0.000000 11.481405\nCa Mo O\n2 4 10\ndirect\n0.883266 0.766528 0.750000 Ca\n0.116736 0.233472 0.250000 Ca\n0.190029 0.380058 0.596804 Mo\n0.809973 0.619942 0.403195 Mo\n0.809973 0.619942 0.096805 Mo\n0.190029 0.380058 0.903196 Mo\n0.711473 0.422945 0.250000 O\n0.288528 0.577055 0.750000 O\n0.247630 0.495257 0.071897 O\n0.752373 0.504743 0.928103 O\n0.752373 0.504743 0.571897 O\n0.247630 0.495257 0.428102 O\n0.038079 0.076156 0.619111 O\n0.961922 0.923842 0.380888 O\n0.038079 0.076156 0.880888 O\n0.961922 0.923842 0.119112 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 4.097049330732841,
"density_atomic": 0.06327324845920324,
"volume": 252.87148027995337,
"volume_molar": 9.51767280272152,
"formula_full": "Ca2 Mo4 O10",
"formula_reduced": "CaMo2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.1725399649999995,
"spacegroup": 63
},
{
"id": "jvasp-28440",
"created_at": "2022-09-04T14:37:09.323812Z",
"updated_at": "2022-09-04T14:37:09.323832Z",
"structure_string": "Yb2 Cl6\n1.0\n4.193270 0.000000 0.000000\n-2.096635 4.799579 -0.000000\n0.000000 0.000000 8.734857\nYb Cl\n2 6\ndirect\n0.782065 0.564132 0.250000 Yb\n0.217933 0.435868 0.750000 Yb\n0.365320 0.730641 0.050679 Cl\n0.634679 0.269360 0.949321 Cl\n0.634679 0.269360 0.550679 Cl\n0.365320 0.730641 0.449321 Cl\n0.088979 0.177958 0.250000 Cl\n0.911020 0.822043 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Cl"
],
"chemical_system": "Cl-Yb",
"density": 5.278276898264273,
"density_atomic": 0.04550700104522692,
"volume": 175.797126074057,
"volume_molar": 13.233437980267967,
"formula_full": "Yb2 Cl6",
"formula_reduced": "YbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.209083516875,
"spacegroup": 63
}
]
}