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=686",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=684",
"results": [
{
"id": "jvasp-52525",
"created_at": "2022-09-04T14:37:28.890207Z",
"updated_at": "2022-09-04T14:37:28.890235Z",
"structure_string": "Li4 Ag4 F12\n1.0\n6.678920 0.057062 -0.068354\n-0.269782 6.673712 0.068354\n-0.259402 0.247005 5.946871\nLi Ag F\n4 4 12\ndirect\n0.096892 0.730614 0.306517 Li\n0.269386 0.903109 0.806517 Li\n0.730615 0.096891 0.193483 Li\n0.903109 0.269386 0.693483 Li\n0.211025 0.211024 0.250000 Ag\n0.409593 0.409593 0.750000 Ag\n0.590408 0.590408 0.250000 Ag\n0.788976 0.788976 0.750000 Ag\n0.802467 0.074471 0.895328 F\n0.707998 0.475581 0.664870 F\n0.619514 0.876026 0.354054 F\n0.524420 0.292002 0.164870 F\n0.475581 0.707998 0.835130 F\n0.123975 0.380486 0.854054 F\n0.292003 0.524419 0.335130 F\n0.197533 0.925529 0.104672 F\n0.876026 0.619514 0.145946 F\n0.074471 0.802467 0.604672 F\n0.380486 0.123975 0.645946 F\n0.925530 0.197533 0.395328 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.307289545814045,
"density_atomic": 0.0754902159040179,
"volume": 264.9349953566038,
"volume_molar": 7.9773791714370725,
"formula_full": "Li4 Ag4 F12",
"formula_reduced": "LiAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0095179999999999,
"spacegroup": 15
},
{
"id": "jvasp-10245",
"created_at": "2022-09-04T14:37:29.931912Z",
"updated_at": "2022-09-04T14:37:29.931942Z",
"structure_string": "Ca2 Ti2 F10\n1.0\n5.303688 0.015861 1.921306\n1.149688 5.177604 1.921306\n-0.003196 -0.002573 7.718692\nCa Ti F\n2 2 10\ndirect\n0.456788 0.543212 0.750000 Ca\n0.543212 0.456788 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204867 0.255004 0.879540 F\n0.744996 0.795132 0.620460 F\n0.795133 0.744995 0.120460 F\n0.255004 0.204867 0.379541 F\n0.093222 0.906778 0.750000 F\n0.906778 0.093222 0.250000 F\n0.286343 0.684835 0.469663 F\n0.315165 0.713657 0.030338 F\n0.713657 0.315165 0.530338 F\n0.684835 0.286343 0.969663 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"F"
],
"chemical_system": "Ca-F-Ti",
"density": 2.867553881266391,
"density_atomic": 0.06607831178948928,
"volume": 211.8698196255508,
"volume_molar": 9.113641975577698,
"formula_full": "Ca2 Ti2 F10",
"formula_reduced": "CaTiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-56217",
"created_at": "2022-09-04T14:37:30.026601Z",
"updated_at": "2022-09-04T14:37:30.026622Z",
"structure_string": "Rb2 Au2 Cl8\n1.0\n5.786774 0.000000 0.000000\n-2.893387 5.965298 -1.282038\n0.000000 0.135601 9.905870\nRb Au Cl\n2 2 8\ndirect\n0.734594 0.500000 0.250000 Rb\n0.265405 0.500000 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 -0.000000 0.500000 Au\n0.817699 0.615600 0.928863 Cl\n0.322230 0.036886 0.852150 Cl\n0.702099 0.384400 0.571136 Cl\n0.182300 0.384400 0.071136 Cl\n0.677769 0.963115 0.147850 Cl\n0.785344 0.963115 0.647850 Cl\n0.214655 0.036886 0.352150 Cl\n0.297900 0.615600 0.428863 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb",
"density": 4.108280891871561,
"density_atomic": 0.034990016597198574,
"volume": 342.95496735948285,
"volume_molar": 17.211025731500094,
"formula_full": "Rb2 Au2 Cl8",
"formula_reduced": "RbAuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0263523445833332,
"spacegroup": 15
},
{
"id": "jvasp-50754",
"created_at": "2022-09-04T14:37:30.006043Z",
"updated_at": "2022-09-04T14:37:30.006051Z",
"structure_string": "Li6 Cu2 F10\n1.0\n6.078326 0.329806 -0.721749\n2.993384 5.300423 -0.721749\n-1.079335 -0.669874 6.673755\nLi Cu F\n6 2 10\ndirect\n0.055687 0.447156 0.170653 Li\n0.447146 0.055700 0.670648 Li\n0.511914 0.488087 0.250000 Li\n0.488078 0.511923 0.750000 Li\n0.552844 0.944313 0.329347 Li\n0.944301 0.552855 0.829353 Li\n-0.000002 0.000000 0.500002 Cu\n0.000000 0.000003 -0.000002 Cu\n0.830401 0.169600 0.250000 F\n0.461922 0.769263 0.456909 F\n0.266791 0.083548 0.133793 F\n0.733195 0.916463 0.866201 F\n0.916452 0.733210 0.366207 F\n0.169590 0.830410 0.750000 F\n0.230737 0.538078 0.043091 F\n0.769247 0.461938 0.956915 F\n0.538063 0.230754 0.543086 F\n0.083538 0.266806 0.633800 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 2.9334660866252515,
"density_atomic": 0.08864340467944087,
"volume": 203.06079245368554,
"volume_molar": 6.793670416629112,
"formula_full": "Li6 Cu2 F10",
"formula_reduced": "Li3CuF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.1053311738888889,
"spacegroup": 15
},
{
"id": "jvasp-30600",
"created_at": "2022-09-04T14:37:30.166452Z",
"updated_at": "2022-09-04T14:37:30.166472Z",
"structure_string": "Nb4 Re2 O16\n1.0\n5.180123 0.003577 -0.009612\n-0.012678 5.618248 -1.722813\n0.024511 0.024959 10.032286\nNb Re O\n4 2 16\ndirect\n0.758470 0.325289 0.278431 Nb\n0.742517 0.047037 0.719768 Nb\n0.242330 0.675741 0.719946 Nb\n0.258283 0.953991 0.278608 Nb\n0.750764 0.659575 0.999804 Re\n0.250036 0.341454 0.998573 Re\n0.880599 0.594024 0.381994 O\n0.619990 0.212336 0.616084 O\n0.120195 0.407007 0.616385 O\n0.380803 0.788688 0.382291 O\n0.075016 0.924700 0.656266 O\n0.425680 0.266542 0.341830 O\n0.079283 0.672236 0.104415 O\n0.581050 0.433091 0.103330 O\n0.921515 0.328793 0.893961 O\n0.925786 0.076330 0.342110 O\n0.590396 0.902835 0.123808 O\n0.909593 0.777926 0.874720 O\n0.410405 0.098194 0.874568 O\n0.091209 0.223105 0.123657 O\n0.419750 0.567938 0.895047 O\n0.575123 0.734484 0.656549 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Re",
"O"
],
"chemical_system": "Nb-O-Re",
"density": 5.683130003581673,
"density_atomic": 0.07529188673845473,
"volume": 292.19615755443243,
"volume_molar": 7.998392683290589,
"formula_full": "Nb4 Re2 O16",
"formula_reduced": "Nb2ReO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.902971345454545,
"spacegroup": 15
},
{
"id": "jvasp-57054",
"created_at": "2022-09-04T14:37:30.288327Z",
"updated_at": "2022-09-04T14:37:30.288337Z",
"structure_string": "K2 Na2 Ti2 O6\n1.0\n5.480024 0.030424 0.344736\n0.619917 5.076415 2.704234\n0.018014 -0.018538 6.218591\nK Na Ti O\n2 2 2 6\ndirect\n0.250000 0.262333 0.475333 K\n0.750000 0.737665 0.524668 K\n0.250000 0.577466 0.845065 Na\n0.750000 0.422532 0.154935 Na\n0.749999 0.053213 0.893573 Ti\n0.250000 0.946785 0.106426 Ti\n0.495935 0.811284 0.946431 O\n0.995935 0.757716 0.053570 O\n0.004065 0.242282 0.946431 O\n0.504064 0.188713 0.053569 O\n0.250000 0.784865 0.430268 O\n0.749999 0.215133 0.569732 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Ti",
"O"
],
"chemical_system": "K-Na-O-Ti",
"density": 3.030165739446543,
"density_atomic": 0.06931702534007612,
"volume": 173.11764232707367,
"volume_molar": 8.687823417774764,
"formula_full": "K2 Na2 Ti2 O6",
"formula_reduced": "KNaTiO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2989043055555554,
"spacegroup": 15
},
{
"id": "jvasp-21137",
"created_at": "2022-09-04T14:37:30.312115Z",
"updated_at": "2022-09-04T14:37:30.312138Z",
"structure_string": "Ca4 Ti4 Si4 O20\n1.0\n0.000000 6.601762 -0.018750\n8.769483 0.000000 0.000000\n0.000000 -2.873795 -6.473185\nCa Ti Si O\n4 4 4 20\ndirect\n0.249997 0.920295 0.749911 Ca\n0.249996 0.579705 0.249911 Ca\n0.750004 0.420295 0.750088 Ca\n0.750003 0.079705 0.250088 Ca\n0.250006 0.250043 0.499903 Ti\n0.749994 0.749956 0.500096 Ti\n0.250006 0.249956 0.999903 Ti\n0.749994 0.750043 0.000096 Ti\n0.750009 0.431130 0.250011 Si\n0.249991 0.931129 0.249988 Si\n0.750009 0.068870 0.750011 Si\n0.249991 0.568870 0.749988 Si\n0.065063 0.685471 0.587946 O\n0.434917 0.814525 0.412032 O\n0.565083 0.314525 0.087968 O\n0.250000 0.179229 0.749983 O\n0.750000 0.679229 0.750016 O\n0.750000 0.820771 0.250016 O\n0.250000 0.320771 0.249983 O\n0.934937 0.185472 0.912053 O\n0.065063 0.814528 0.087946 O\n0.147241 0.037726 0.382895 O\n0.352749 0.462286 0.617075 O\n0.647251 0.962286 0.882924 O\n0.647251 0.537714 0.382925 O\n0.352749 0.037714 0.117075 O\n0.434917 0.685474 0.912032 O\n0.852758 0.537726 0.117104 O\n0.852759 0.962274 0.617104 O\n0.147242 0.462274 0.882895 O\n0.934937 0.314528 0.412053 O\n0.565083 0.185475 0.587967 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Ti",
"density": 3.4699799211900078,
"density_atomic": 0.08528071837676404,
"volume": 375.2313607236083,
"volume_molar": 7.061550224512202,
"formula_full": "Ca4 Ti4 Si4 O20",
"formula_reduced": "CaTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.296819356666666,
"spacegroup": 15
},
{
"id": "jvasp-21130",
"created_at": "2022-09-04T14:37:30.727359Z",
"updated_at": "2022-09-04T14:37:30.727383Z",
"structure_string": "Na4 Cd6 Si6 O20\n1.0\n5.157379 -0.000000 0.000000\n-2.578689 8.312827 -0.566225\n0.000000 0.054606 11.066865\nNa Cd Si O\n4 6 6 20\ndirect\n0.285070 0.092202 0.467575 Na\n0.192869 0.907799 0.032426 Na\n0.714930 0.907799 0.532426 Na\n0.807131 0.092202 0.967575 Na\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.056206 0.684842 0.293804 Cd\n0.371363 0.315159 0.206196 Cd\n0.943795 0.315159 0.706197 Cd\n0.628637 0.684842 0.793804 Cd\n0.814732 0.000000 0.250000 Si\n0.459168 0.300908 0.899441 Si\n0.540833 0.699093 0.100560 Si\n0.841739 0.300908 0.399441 Si\n0.185268 0.000000 0.750000 Si\n0.158261 0.699093 0.600560 Si\n0.589834 0.294375 0.033793 O\n0.295460 0.705626 0.466207 O\n0.163413 0.312768 0.397228 O\n0.970291 0.907684 0.848778 O\n0.850646 0.687232 0.102772 O\n0.836587 0.687233 0.602772 O\n0.149355 0.312768 0.897229 O\n0.755078 0.440962 0.328831 O\n0.314117 0.559039 0.171170 O\n0.244922 0.559039 0.671170 O\n0.410166 0.705626 0.966207 O\n0.685884 0.440962 0.828831 O\n0.545839 0.875848 0.172764 O\n0.330011 0.875849 0.672764 O\n0.454161 0.124152 0.827237 O\n0.937392 0.907684 0.348778 O\n0.029709 0.092317 0.151223 O\n0.062609 0.092317 0.651223 O\n0.669990 0.124152 0.327237 O\n0.704541 0.294375 0.533794 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Na-O-Si",
"density": 4.390549740054592,
"density_atomic": 0.07584975126626269,
"volume": 474.62251884815987,
"volume_molar": 7.939565601026033,
"formula_full": "Na4 Cd6 Si6 O20",
"formula_reduced": "Na2Cd3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.718083225,
"spacegroup": 15
},
{
"id": "jvasp-22913",
"created_at": "2022-09-04T14:37:30.869390Z",
"updated_at": "2022-09-04T14:37:30.869408Z",
"structure_string": "Sr6 Ge6 O18\n1.0\n6.905969 0.003410 2.288445\n3.056843 6.192586 2.288445\n-0.020789 -0.012929 11.381826\nSr Ge O\n6 6 18\ndirect\n0.330508 0.839829 0.500659 Sr\n0.669491 0.160171 0.499343 Sr\n0.839829 0.330509 0.000658 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.160171 0.669492 0.999343 Sr\n0.582222 0.679732 0.753441 Ge\n0.320268 0.417778 0.746561 Ge\n0.417778 0.320269 0.246561 Ge\n0.679731 0.582222 0.253440 Ge\n0.846419 0.153581 0.750001 Ge\n0.153580 0.846420 0.250001 Ge\n0.175359 0.367999 0.896202 O\n0.632001 0.824641 0.603800 O\n0.717668 0.531403 0.406375 O\n0.653958 0.346042 0.250001 O\n0.531402 0.717668 0.906376 O\n0.367999 0.175359 0.396202 O\n0.824641 0.632002 0.103799 O\n0.819724 0.417111 0.751127 O\n0.582889 0.180275 0.748874 O\n0.180275 0.582889 0.248874 O\n0.417111 0.819725 0.251127 O\n0.990193 0.111949 0.599441 O\n0.888051 0.009807 0.900560 O\n0.009806 0.888052 0.400560 O\n0.111948 0.990194 0.099441 O\n0.346042 0.653958 0.750001 O\n0.282332 0.468597 0.593626 O\n0.468597 0.282332 0.093626 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr",
"density": 4.260253605691012,
"density_atomic": 0.06159624661990482,
"volume": 487.0426632506128,
"volume_molar": 9.776798247401564,
"formula_full": "Sr6 Ge6 O18",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0957045519999995,
"spacegroup": 15
},
{
"id": "jvasp-43014",
"created_at": "2022-09-04T14:37:30.785234Z",
"updated_at": "2022-09-04T14:37:30.785260Z",
"structure_string": "Li2 V4 Fe2 O12\n1.0\n6.683365 -0.281291 -0.125774\n-0.965006 6.619310 0.125774\n-1.520766 1.372082 5.127955\nLi V Fe O\n2 4 2 12\ndirect\n0.260289 0.260290 0.250000 Li\n0.739709 0.739710 0.750001 Li\n0.196333 0.614501 0.783426 V\n0.385498 0.803666 0.283426 V\n0.614501 0.196333 0.716575 V\n0.803665 0.385498 0.216575 V\n0.084967 0.084967 0.750001 Fe\n0.915032 0.915033 0.250000 Fe\n0.811965 0.013506 0.854194 O\n0.585246 0.293032 0.366988 O\n0.640161 0.894124 0.275078 O\n0.706967 0.414753 0.866988 O\n0.293031 0.585247 0.133013 O\n0.105875 0.359838 0.775079 O\n0.414752 0.706968 0.633013 O\n0.188033 0.986493 0.145807 O\n0.894123 0.640162 0.224922 O\n0.013506 0.811966 0.645808 O\n0.359838 0.105875 0.724923 O\n0.986493 0.188034 0.354193 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 3.877395901340537,
"density_atomic": 0.08957929939374051,
"volume": 223.2658676207232,
"volume_molar": 6.722692408577608,
"formula_full": "Li2 V4 Fe2 O12",
"formula_reduced": "LiV2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0534054900000003,
"spacegroup": 15
},
{
"id": "jvasp-21833",
"created_at": "2022-09-04T14:37:31.323050Z",
"updated_at": "2022-09-04T14:37:31.323071Z",
"structure_string": "Tb4 Si10 Rh6\n1.0\n5.431061 -0.011456 -1.874746\n-2.985061 7.560763 -0.467403\n-0.029068 0.024588 8.142036\nTb Si Rh\n4 10 6\ndirect\n0.736824 0.598922 0.866306 Tb\n0.263175 0.401078 0.133694 Tb\n0.236825 0.866306 0.598923 Tb\n0.763175 0.133694 0.401078 Tb\n0.250000 0.212427 0.787573 Si\n0.750000 0.787572 0.212427 Si\n0.162013 0.057363 0.264892 Si\n0.750000 0.489703 0.510296 Si\n0.250000 0.510296 0.489704 Si\n0.662012 0.264891 0.057363 Si\n0.837987 0.942636 0.735109 Si\n0.337987 0.735108 0.942637 Si\n0.250000 0.775228 0.224771 Si\n0.750000 0.224771 0.775229 Si\n0.750000 0.997874 0.002125 Rh\n0.123929 0.462693 0.742180 Rh\n0.623929 0.742179 0.462693 Rh\n0.876070 0.537306 0.257820 Rh\n0.250000 0.002125 0.997875 Rh\n0.376070 0.257820 0.537307 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Tb",
"density": 7.630023440150417,
"density_atomic": 0.05990794352889827,
"volume": 333.8455440446298,
"volume_molar": 10.052324291677701,
"formula_full": "Tb4 Si10 Rh6",
"formula_reduced": "Tb2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.16807288,
"spacegroup": 15
},
{
"id": "jvasp-32764",
"created_at": "2022-09-04T14:37:31.915667Z",
"updated_at": "2022-09-04T14:37:31.915676Z",
"structure_string": "Hf4 I16\n1.0\n7.943328 -0.001393 -2.627623\n-0.875246 7.894961 -2.627623\n-0.011670 -0.013033 12.929741\nHf I\n4 16\ndirect\n0.217614 0.938334 0.624785 Hf\n0.938334 0.217615 0.124785 Hf\n0.782386 0.061666 0.375215 Hf\n0.061666 0.782386 0.875215 Hf\n0.420396 0.687210 0.615427 I\n0.820559 0.052694 0.879651 I\n0.687210 0.420396 0.115427 I\n0.312790 0.579604 0.884574 I\n0.435048 0.186098 0.635204 I\n0.813902 0.564953 0.864796 I\n0.052693 0.820559 0.379651 I\n0.291887 0.056826 0.870279 I\n0.947307 0.179442 0.620350 I\n0.564952 0.813902 0.364796 I\n0.186098 0.435048 0.135204 I\n0.056825 0.291887 0.370279 I\n0.708113 0.943175 0.129721 I\n0.179441 0.947307 0.120349 I\n0.579604 0.312790 0.384574 I\n0.943175 0.708114 0.629721 I\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hf",
"I"
],
"chemical_system": "Hf-I",
"density": 5.624179493655321,
"density_atomic": 0.02468241625646573,
"volume": 810.2934409738293,
"volume_molar": 24.39850579224576,
"formula_full": "Hf4 I16",
"formula_reduced": "HfI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7115536199999998,
"spacegroup": 15
}
]
}