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=-structure_string&page=1543",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1541",
"results": [
{
"id": "jvasp-20302",
"created_at": "2022-09-04T14:38:29.441036Z",
"updated_at": "2022-09-04T14:38:29.441060Z",
"structure_string": "Pd16 S7\n1.0\n7.387873 0.000000 -2.612007\n-3.693937 6.398085 -2.612007\n-0.000000 -0.000000 7.836023\nPd S\n16 7\ndirect\n0.752359 0.752359 0.337499 Pd\n0.247641 0.585141 -0.000000 Pd\n-0.000000 0.247641 0.585140 Pd\n0.337499 0.752359 0.752358 Pd\n0.752359 0.337500 0.752358 Pd\n0.247641 0.000000 0.585140 Pd\n0.000000 0.000000 0.232233 Pd\n-0.000000 0.232233 -0.000000 Pd\n0.232233 -0.000000 -0.000000 Pd\n0.767766 0.767767 0.767766 Pd\n0.585140 0.247641 -0.000000 Pd\n0.414859 0.414860 0.662500 Pd\n0.662500 0.414860 0.414859 Pd\n-0.000000 0.585141 0.247641 Pd\n0.585140 -0.000000 0.247641 Pd\n0.414859 0.662501 0.414859 Pd\n0.312084 0.312085 0.312084 S\n0.687915 -0.000000 -0.000000 S\n-0.000000 0.687916 -0.000000 S\n0.000000 0.000000 0.687915 S\n-0.000000 0.500000 0.500000 S\n0.500000 -0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 23,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 8.639828502364846,
"density_atomic": 0.06209586873190436,
"volume": 370.39501128974115,
"volume_molar": 9.69813432516787,
"formula_full": "Pd16 S7",
"formula_reduced": "Pd16S7",
"formula_anonymous": "A7B16",
"energy_above_hull": 2.1966087478260867,
"spacegroup": 217
},
{
"id": "jvasp-20773",
"created_at": "2022-09-04T14:38:33.762884Z",
"updated_at": "2022-09-04T14:38:33.762901Z",
"structure_string": "Pd14 Se8\n1.0\n5.380415 0.000000 0.000000\n0.000000 7.059075 0.000000\n0.000000 0.000000 10.380220\nPd Se\n14 8\ndirect\n0.663292 0.870816 0.632993 Pd\n0.647874 0.687119 0.917691 Pd\n0.647874 0.312881 0.082309 Pd\n0.352127 0.187119 0.582309 Pd\n0.993581 0.586540 0.726341 Pd\n0.993581 0.413461 0.273659 Pd\n0.006420 0.086539 0.773659 Pd\n0.352127 0.812882 0.417691 Pd\n0.675947 0.500000 0.500000 Pd\n0.324054 0.000000 0.000000 Pd\n0.336709 0.629185 0.132993 Pd\n0.336709 0.370815 0.867007 Pd\n0.663292 0.129185 0.367007 Pd\n0.006420 0.913461 0.226341 Pd\n0.315989 0.175545 0.219837 Se\n0.998366 0.000000 0.500000 Se\n0.001635 0.500000 0.000000 Se\n0.172258 0.500000 0.500000 Se\n0.827743 0.000000 0.000000 Se\n0.684011 0.675546 0.280163 Se\n0.684011 0.324455 0.719837 Se\n0.315989 0.824455 0.780163 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 8.935817430134446,
"density_atomic": 0.05580235810194422,
"volume": 394.24857207304103,
"volume_molar": 10.791910888422082,
"formula_full": "Pd14 Se8",
"formula_reduced": "Pd7Se4",
"formula_anonymous": "A4B7",
"energy_above_hull": 1.8721075787878787,
"spacegroup": 18
},
{
"id": "jvasp-57871",
"created_at": "2022-09-04T14:38:35.800022Z",
"updated_at": "2022-09-04T14:38:35.800046Z",
"structure_string": "Pd14 Se4\n1.0\n0.000000 5.647103 0.000425\n5.425134 0.000000 0.000000\n0.000000 -0.612492 -9.509900\nPd Se\n14 4\ndirect\n0.207303 0.083394 0.425156 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.792697 0.916606 0.574845 Pd\n0.207303 0.416606 0.925156 Pd\n0.573109 0.842181 0.293237 Pd\n0.426891 0.157819 0.706763 Pd\n0.426890 0.342181 0.206763 Pd\n0.968328 0.102329 0.148203 Pd\n0.031671 0.602328 0.351797 Pd\n0.031672 0.897671 0.851797 Pd\n0.968328 0.397671 0.648203 Pd\n0.792697 0.583393 0.074845 Pd\n0.573109 0.657818 0.793237 Pd\n0.225011 0.771446 0.621375 Se\n0.774989 0.228553 0.378625 Se\n0.225011 0.728553 0.121375 Se\n0.774989 0.271447 0.878625 Se\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.291756014425264,
"density_atomic": 0.0617820737069729,
"volume": 291.3466466886894,
"volume_molar": 9.747391757295977,
"formula_full": "Pd14 Se4",
"formula_reduced": "Pd7Se2",
"formula_anonymous": "A2B7",
"energy_above_hull": 1.8837107370370372,
"spacegroup": 14
},
{
"id": "jvasp-5767",
"created_at": "2022-09-04T14:37:42.314349Z",
"updated_at": "2022-09-04T14:37:42.314367Z",
"structure_string": "Pd12 S12 Cl12\n1.0\n0.000000 7.729347 -0.027330\n11.979054 0.000000 0.000000\n0.000000 -3.299926 -8.624024\nPd S Cl\n12 12 12\ndirect\n0.603628 0.372530 0.098010 Pd\n0.349047 0.750000 0.439562 Pd\n0.650953 0.250000 0.560438 Pd\n0.658807 0.750000 0.795286 Pd\n0.909872 0.125465 0.453288 Pd\n0.090128 0.625465 0.546712 Pd\n0.341193 0.250000 0.204714 Pd\n0.909872 0.374535 0.453288 Pd\n0.603628 0.127469 0.098010 Pd\n0.396372 0.627469 0.901989 Pd\n0.396372 0.872530 0.901989 Pd\n0.090128 0.874535 0.546712 Pd\n0.918081 0.339670 0.208671 S\n0.360337 0.970461 0.678110 S\n0.918081 0.160330 0.208671 S\n0.081919 0.660330 0.791329 S\n0.081919 0.839670 0.791329 S\n0.548678 0.878597 0.598339 S\n0.451322 0.378597 0.401661 S\n0.639663 0.470461 0.321889 S\n0.548678 0.621402 0.598339 S\n0.639663 0.029538 0.321889 S\n0.360337 0.529538 0.678110 S\n0.451322 0.121403 0.401661 S\n0.587707 0.250000 0.886264 Cl\n0.728871 0.603944 0.985942 Cl\n0.271129 0.103944 0.014058 Cl\n0.412292 0.750000 0.113736 Cl\n0.728871 0.896055 0.985942 Cl\n0.168189 0.250000 0.568075 Cl\n0.140265 0.897083 0.304426 Cl\n0.140265 0.602916 0.304426 Cl\n0.859735 0.102916 0.695574 Cl\n0.859735 0.397083 0.695574 Cl\n0.831810 0.750000 0.431925 Cl\n0.271129 0.396056 0.014058 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Pd",
"S",
"Cl"
],
"chemical_system": "Cl-Pd-S",
"density": 4.334732853965525,
"density_atomic": 0.045023579803029866,
"volume": 799.5810230437825,
"volume_molar": 13.375526304984618,
"formula_full": "Pd12 S12 Cl12",
"formula_reduced": "PdSCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9511099224999998,
"spacegroup": 11
},
{
"id": "jvasp-963",
"created_at": "2022-09-04T14:37:48.339498Z",
"updated_at": "2022-09-04T14:37:48.339525Z",
"structure_string": "Pd1\n1.0\n2.411439 0.000001 1.392245\n0.803813 2.273526 1.392245\n0.000001 0.000001 2.784490\nPd\n1\ndirect\n-0.000000 -0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.575791647456194,
"density_atomic": 0.06550558798487516,
"volume": 15.265873198953559,
"volume_molar": 9.193323722840981,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 9.999999999621425e-06,
"spacegroup": 225
},
{
"id": "jvasp-14644",
"created_at": "2022-09-04T14:36:15.364832Z",
"updated_at": "2022-09-04T14:36:15.364860Z",
"structure_string": "Pd1\n1.0\n2.411437 0.000000 1.392244\n0.803812 2.273525 1.392244\n0.000000 0.000000 2.784488\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.575808859692037,
"density_atomic": 0.06550568538621615,
"volume": 15.265850499908245,
"volume_molar": 9.193310053156381,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 1.999999999968693e-05,
"spacegroup": 225
},
{
"id": "jvasp-78335",
"created_at": "2022-09-04T14:36:32.933850Z",
"updated_at": "2022-09-04T14:36:32.933880Z",
"structure_string": "Pd1\n1.0\n-1.968927 -1.968927 0.000000\n-1.968927 0.000000 -1.968927\n0.000000 -1.968927 -1.968927\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.575866586319789,
"density_atomic": 0.06550601205214177,
"volume": 15.26577437203803,
"volume_molar": 9.193264207881363,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119929",
"created_at": "2022-09-04T14:38:49.011367Z",
"updated_at": "2022-09-04T14:38:49.011387Z",
"structure_string": "Pd1\n1.0\n11.325608 0.000000 0.000000\n-0.000000 11.325608 0.000000\n0.000000 0.000000 11.325608\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 0.12164318269413048,
"density_atomic": 0.0006883596776278935,
"volume": 1452.7289039445595,
"volume_molar": 874.8537945674656,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy_above_hull": 4.0379,
"spacegroup": 221
},
{
"id": "jvasp-29883",
"created_at": "2022-09-04T14:37:29.958547Z",
"updated_at": "2022-09-04T14:37:29.958557Z",
"structure_string": "Pb8 Se8 O24\n1.0\n8.104069 0.000000 0.000000\n0.000000 8.611040 -2.002493\n0.000000 -0.006240 9.222547\nPb Se O\n8 8 24\ndirect\n0.174912 0.728672 0.604315 Pb\n0.166256 0.173030 0.007371 Pb\n0.666256 0.326970 0.992629 Pb\n0.833744 0.826970 0.992629 Pb\n0.674912 0.771328 0.395686 Pb\n0.325088 0.228672 0.604314 Pb\n0.333744 0.673030 0.007372 Pb\n0.825088 0.271328 0.395686 Pb\n0.603595 0.551108 0.678174 Se\n0.505004 0.053645 0.203419 Se\n0.896405 0.051108 0.678174 Se\n0.396405 0.448892 0.321827 Se\n0.005004 0.446355 0.796582 Se\n0.494996 0.946355 0.796582 Se\n0.103595 0.948892 0.321827 Se\n0.994996 0.553645 0.203419 Se\n0.842707 0.859788 0.659668 O\n0.550295 0.104274 0.389442 O\n0.680564 0.124222 0.131458 O\n0.180564 0.375778 0.868543 O\n0.319436 0.875778 0.868543 O\n0.881657 0.123842 0.870539 O\n0.449098 0.144787 0.842238 O\n0.390833 0.533786 0.659750 O\n0.550902 0.855213 0.157763 O\n0.342707 0.640212 0.340333 O\n0.949098 0.355213 0.157762 O\n0.109167 0.033786 0.659750 O\n0.118343 0.876158 0.129462 O\n0.949705 0.604274 0.389442 O\n0.618343 0.623842 0.870539 O\n0.890833 0.966214 0.340251 O\n0.050902 0.644787 0.842238 O\n0.050295 0.395726 0.610559 O\n0.157293 0.140212 0.340332 O\n0.449705 0.895726 0.610559 O\n0.819436 0.624222 0.131458 O\n0.657293 0.359788 0.659668 O\n0.609167 0.466214 0.340251 O\n0.381657 0.376158 0.129461 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.898424767089761,
"density_atomic": 0.062161103609070845,
"volume": 643.4892187815502,
"volume_molar": 9.687956632612329,
"formula_full": "Pb8 Se8 O24",
"formula_reduced": "PbSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6630709373333334,
"spacegroup": 14
},
{
"id": "jvasp-88423",
"created_at": "2022-09-04T14:35:55.560782Z",
"updated_at": "2022-09-04T14:35:55.560810Z",
"structure_string": "Pb8 O4 F8\n1.0\n5.767839 -0.000000 0.000000\n-0.000000 8.229646 0.000000\n0.000000 0.000000 8.229646\nPb O F\n8 4 8\ndirect\n0.060532 0.250000 0.025250 Pb\n0.560532 0.025250 0.250000 Pb\n0.060532 0.250000 0.474750 Pb\n0.939468 0.750000 0.974750 Pb\n0.939468 0.750000 0.525251 Pb\n0.439468 0.525251 0.750000 Pb\n0.439468 0.974750 0.750000 Pb\n0.560532 0.474750 0.250000 Pb\n0.161934 0.750000 0.750000 O\n0.338066 0.250000 0.250000 O\n0.838066 0.250000 0.250000 O\n0.661934 0.750000 0.750000 O\n0.750000 0.039954 0.960046 F\n0.750000 0.039954 0.539955 F\n0.250000 0.539955 0.460046 F\n0.250000 0.539955 0.039954 F\n0.250000 0.960046 0.460046 F\n0.750000 0.460046 0.539955 F\n0.250000 0.960046 0.039954 F\n0.750000 0.460046 0.960046 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"O",
"F"
],
"chemical_system": "F-O-Pb",
"density": 7.964289164932275,
"density_atomic": 0.051198184107602636,
"volume": 390.6388546509038,
"volume_molar": 11.762410845164618,
"formula_full": "Pb8 O4 F8",
"formula_reduced": "Pb2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1555431409999997,
"spacegroup": 137
},
{
"id": "jvasp-97658",
"created_at": "2022-09-04T14:35:46.563608Z",
"updated_at": "2022-09-04T14:35:46.563634Z",
"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.854585267621616,
"density_atomic": 0.06417163781514315,
"volume": 311.66416630370657,
"volume_molar": 9.384427396644849,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4234724279999995,
"spacegroup": 63
},
{
"id": "jvasp-55519",
"created_at": "2022-09-04T14:37:00.386708Z",
"updated_at": "2022-09-04T14:37:00.386735Z",
"structure_string": "Pb8 O12\n1.0\n0.000000 7.645732 -0.014315\n5.739976 0.000000 0.000000\n0.000000 -3.069208 -7.256972\nPb O\n8 12\ndirect\n0.091354 0.754229 0.116987 Pb\n0.908646 0.254229 0.383013 Pb\n0.908646 0.245772 0.883013 Pb\n0.091354 0.745772 0.616987 Pb\n0.612584 0.741365 0.140539 Pb\n0.387416 0.241364 0.359461 Pb\n0.387416 0.258636 0.859461 Pb\n0.612583 0.758637 0.640539 Pb\n0.073009 0.937204 0.361608 O\n0.926990 0.437203 0.138393 O\n0.809024 0.593883 0.450537 O\n0.190975 0.093883 0.049464 O\n0.190975 0.406117 0.549464 O\n0.627559 0.128178 0.229757 O\n0.372441 0.871823 0.770244 O\n0.627558 0.371822 0.729757 O\n0.073009 0.562797 0.861608 O\n0.372441 0.628178 0.270244 O\n0.809024 0.906118 0.950536 O\n0.926990 0.062797 0.638392 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.636001712673739,
"density_atomic": 0.06274825323430762,
"volume": 318.73397216840766,
"volume_molar": 9.597304226960366,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4237484279999997,
"spacegroup": 14
}
]
}