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=4181",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4179",
"results": [
{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
"updated_at": "2022-09-04T14:37:51.299714Z",
"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Si",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Si",
"density": 1.7600494358031098,
"density_atomic": 0.10913210248298731,
"volume": 247.40657776852646,
"volume_molar": 5.518211986192418,
"formula_full": "Si1 H12 C2 N6 F6",
"formula_reduced": "SiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.572193696111111,
"spacegroup": 12
},
{
"id": "jvasp-49931",
"created_at": "2022-09-04T14:37:51.308184Z",
"updated_at": "2022-09-04T14:37:51.308220Z",
"structure_string": "Al4 O6\n1.0\n3.120596 -0.000329 0.000750\n-1.559545 5.524661 -0.648659\n-0.001929 -3.166742 6.394544\nAl O\n4 6\ndirect\n0.002993 0.024716 0.313677 Al\n0.680669 0.380106 0.153450 Al\n0.978268 0.975284 0.686323 Al\n0.300599 0.619894 0.846549 Al\n0.862644 0.744134 0.373378 O\n0.409027 0.836805 0.727591 O\n0.572234 0.163193 0.272407 O\n0.134241 0.287258 0.004633 O\n0.847025 0.712739 -0.004633 O\n0.118601 0.255866 0.626622 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.2611880678943557,
"density_atomic": 0.09630780496185852,
"volume": 103.83374435706818,
"volume_molar": 6.2530142415612024,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.60241522,
"spacegroup": 12
},
{
"id": "jvasp-57627",
"created_at": "2022-09-04T14:37:18.046284Z",
"updated_at": "2022-09-04T14:37:18.046311Z",
"structure_string": "Li8 Bi2 Pd1 O10\n1.0\n4.190368 0.000000 0.814926\n1.932621 4.790238 1.243365\n0.012999 0.020221 11.114116\nLi Bi Pd O\n8 2 1 10\ndirect\n0.620433 0.222347 0.536788 Li\n0.249973 0.407603 0.092451 Li\n0.079596 0.454231 0.386576 Li\n0.920404 0.545769 0.613425 Li\n0.750027 0.592397 0.907550 Li\n0.379568 0.777653 0.463213 Li\n0.545614 0.712091 0.196682 Li\n0.454386 0.287909 0.803319 Li\n0.185445 0.910178 0.718931 Bi\n0.814555 0.089822 0.281070 Bi\n0.000000 0.000000 0.000000 Pd\n0.962195 0.244491 0.831120 O\n0.673751 0.908192 0.744306 O\n0.326249 0.091808 0.255695 O\n0.405987 0.547796 0.640229 O\n0.594013 0.452204 0.359772 O\n0.211556 0.665336 0.911554 O\n0.037805 0.755510 0.168881 O\n0.131155 0.187991 0.549700 O\n0.868845 0.812009 0.450301 O\n0.788445 0.334664 0.088447 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Bi",
"Pd",
"O"
],
"chemical_system": "Bi-Li-O-Pd",
"density": 5.510379828380299,
"density_atomic": 0.09418398505314618,
"volume": 222.96784308022336,
"volume_molar": 6.394017790393795,
"formula_full": "Li8 Bi2 Pd1 O10",
"formula_reduced": "Li8Bi2PdO10",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 1.9195480619047616,
"spacegroup": 12
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.094693296232851,
"density_atomic": 0.052403615379718126,
"volume": 57.24795852847008,
"volume_molar": 11.491842149369644,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0997805809523804,
"spacegroup": 12
},
{
"id": "jvasp-31612",
"created_at": "2022-09-04T14:37:18.221530Z",
"updated_at": "2022-09-04T14:37:18.221556Z",
"structure_string": "Ho5 Re2 O12\n1.0\n5.644477 0.000000 0.000000\n-2.822239 5.896186 -1.896348\n0.000000 -0.011661 7.499387\nHo Re O\n5 2 12\ndirect\n0.303051 0.606102 0.641185 Ho\n0.696950 0.393899 0.358815 Ho\n0.000000 0.000000 0.500000 Ho\n0.685503 0.371006 0.824271 Ho\n0.314498 0.628995 0.175729 Ho\n0.784839 0.000000 0.000000 Re\n0.215161 0.000000 0.000000 Re\n0.419836 0.332377 0.085298 O\n0.098571 0.692584 0.426935 O\n0.498832 0.997664 0.821012 O\n0.594013 0.692584 0.426935 O\n0.087459 0.667623 0.914702 O\n0.580164 0.667623 0.914702 O\n0.912542 0.332377 0.085298 O\n0.998583 0.997166 0.207386 O\n0.001418 0.002835 0.792615 O\n0.501169 0.002337 0.178989 O\n0.901429 0.307417 0.573065 O\n0.405988 0.307417 0.573065 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ho",
"Re",
"O"
],
"chemical_system": "Ho-O-Re",
"density": 9.246262078131725,
"density_atomic": 0.07616407945083069,
"volume": 249.46142770970988,
"volume_molar": 7.906799115044407,
"formula_full": "Ho5 Re2 O12",
"formula_reduced": "Ho5(ReO6)2",
"formula_anonymous": "A2B5C12",
"energy_above_hull": 3.1392045175438588,
"spacegroup": 12
},
{
"id": "jvasp-30516",
"created_at": "2022-09-04T14:37:17.993847Z",
"updated_at": "2022-09-04T14:37:17.993876Z",
"structure_string": "Ag2 O4 F2\n1.0\n2.202499 2.979526 1.090538\n3.826485 -2.891051 0.170683\n0.390374 -0.648736 -5.855640\nAg O F\n2 4 2\ndirect\n0.651198 0.761777 0.302397 Ag\n0.348801 0.238222 0.697602 Ag\n0.847420 0.272855 0.023739 O\n0.176319 0.272855 0.023739 O\n0.823681 0.727144 -0.023739 O\n0.152580 0.727144 -0.023739 O\n0.754092 0.240068 0.508182 F\n0.245907 0.759930 0.491817 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"O",
"F"
],
"chemical_system": "Ag-F-O",
"density": 5.121733638111918,
"density_atomic": 0.07766020868814522,
"volume": 103.01285735820068,
"volume_molar": 7.754474088761078,
"formula_full": "Ag2 O4 F2",
"formula_reduced": "AgO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.971943635625,
"spacegroup": 12
},
{
"id": "jvasp-52241",
"created_at": "2022-09-04T14:37:03.848658Z",
"updated_at": "2022-09-04T14:37:03.848680Z",
"structure_string": "Li3 Ti4 O8\n1.0\n-1.654697 5.536319 0.000000\n-4.974166 -1.486681 2.475312\n-1.588607 2.540634 5.019694\nLi Ti O\n3 4 8\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.500001 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.500001 0.500001 -0.000000 Ti\n0.500000 0.000001 0.499999 Ti\n0.000000 0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.758223 0.749039 0.992954 O\n0.248821 0.749039 0.992954 O\n0.750165 0.742973 0.499671 O\n0.243139 0.767966 0.513723 O\n0.756862 0.232036 0.486275 O\n0.249837 0.257030 0.500327 O\n0.751180 0.250963 0.007043 O\n0.241778 0.250963 0.007043 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.058763480526378,
"density_atomic": 0.10774362139747726,
"volume": 139.21937842300161,
"volume_molar": 5.589324622553484,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.843843422222222,
"spacegroup": 12
},
{
"id": "jvasp-102300",
"created_at": "2022-09-04T14:37:03.924383Z",
"updated_at": "2022-09-04T14:37:03.924420Z",
"structure_string": "Tb4 Co2 Ge4\n1.0\n5.072361 0.006102 2.461757\n3.342267 3.815512 2.461757\n-0.091766 -0.041677 10.231212\nTb Co Ge\n4 2 4\ndirect\n0.810811 0.810809 0.116016 Tb\n0.189190 0.189189 0.883985 Tb\n0.994508 0.994505 0.333107 Tb\n0.005493 0.005493 0.666894 Tb\n0.274787 0.274786 0.342776 Co\n0.725214 0.725212 0.657224 Co\n0.515022 0.515020 0.121987 Ge\n0.484979 0.484978 0.878014 Ge\n0.659562 0.659561 0.439250 Ge\n0.340438 0.340437 0.560750 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 8.719615938155558,
"density_atomic": 0.050291501743152354,
"volume": 198.84075148663842,
"volume_molar": 11.97446994276716,
"formula_full": "Tb4 Co2 Ge4",
"formula_reduced": "Tb2CoGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.49457792,
"spacegroup": 12
},
{
"id": "jvasp-101377",
"created_at": "2022-09-04T14:37:04.380828Z",
"updated_at": "2022-09-04T14:37:04.380854Z",
"structure_string": "Mg2 Si4\n1.0\n4.267557 0.091143 1.844827\n1.776016 4.769269 1.515712\n0.221155 -0.261595 5.366236\nMg Si\n2 4\ndirect\n0.269684 0.158340 0.302171 Mg\n0.730319 0.841661 0.697829 Mg\n0.948522 0.234730 0.868097 Si\n0.590426 0.568376 0.250831 Si\n0.051480 0.765271 0.131903 Si\n0.409576 0.431625 0.749169 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4915183715693705,
"density_atomic": 0.05593322609809839,
"volume": 107.27076584992452,
"volume_molar": 10.766660856354108,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8181353238095237,
"spacegroup": 12
},
{
"id": "jvasp-102599",
"created_at": "2022-09-04T14:37:08.135623Z",
"updated_at": "2022-09-04T14:37:08.135637Z",
"structure_string": "Sc4 Co2 Ge4\n1.0\n4.832193 -0.003537 2.367335\n3.166885 3.649787 2.367335\n-0.045816 -0.020885 9.606326\nSc Co Ge\n4 2 4\ndirect\n0.994530 0.994531 0.332724 Sc\n0.005469 0.005471 0.667278 Sc\n0.819579 0.819579 0.107685 Sc\n0.180420 0.180422 0.892316 Sc\n0.720134 0.720136 0.635684 Co\n0.279864 0.279865 0.364318 Co\n0.648492 0.648493 0.426538 Ge\n0.351506 0.351508 0.573463 Ge\n0.523355 0.523355 0.124376 Ge\n0.476644 0.476646 0.875625 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Sc",
"density": 5.745686414646019,
"density_atomic": 0.05882079069882786,
"volume": 170.00791524890658,
"volume_molar": 10.23811595943066,
"formula_full": "Sc4 Co2 Ge4",
"formula_reduced": "Sc2CoGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.99197266,
"spacegroup": 12
},
{
"id": "jvasp-13297",
"created_at": "2022-09-04T14:37:03.917292Z",
"updated_at": "2022-09-04T14:37:03.917309Z",
"structure_string": "Ti1 Fe4 O8\n1.0\n5.832686 0.024549 0.004313\n2.937603 5.088077 -0.000000\n2.924787 1.703425 4.806302\nTi Fe O\n1 4 8\ndirect\n0.500000 0.500000 -0.000000 Ti\n0.143433 0.122177 0.112212 Fe\n0.500001 -0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.856568 0.877823 0.887787 Fe\n0.280547 0.245483 0.244544 O\n0.280547 0.729427 0.244544 O\n0.282908 0.241367 0.734359 O\n0.743057 0.256532 0.243878 O\n0.256944 0.743468 0.756121 O\n0.717094 0.758633 0.265640 O\n0.719454 0.270574 0.755455 O\n0.719454 0.754517 0.755455 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.660568257204245,
"density_atomic": 0.0913895813093465,
"volume": 142.24816235885825,
"volume_molar": 6.589526589049061,
"formula_full": "Ti1 Fe4 O8",
"formula_reduced": "Ti(FeO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.345744487179488,
"spacegroup": 12
},
{
"id": "jvasp-50622",
"created_at": "2022-09-04T14:37:04.028543Z",
"updated_at": "2022-09-04T14:37:04.028560Z",
"structure_string": "Rb6 Er2 O6\n1.0\n7.181695 0.056529 0.130766\n3.019982 6.516108 -0.130766\n-0.769696 1.194678 7.008053\nRb Er O\n6 2 6\ndirect\n0.200648 0.200649 0.500000 Rb\n0.259803 0.259803 0.000000 Rb\n0.361256 0.638744 0.639532 Rb\n0.638744 0.361257 0.360467 Rb\n0.740197 0.740198 0.000000 Rb\n0.799351 0.799352 0.500000 Rb\n0.179257 0.820743 0.146661 Er\n0.820742 0.179258 0.853338 Er\n0.167806 0.550850 0.268063 O\n0.098427 0.901572 0.839298 O\n0.550849 0.167807 0.731937 O\n0.449150 0.832194 0.268063 O\n0.901572 0.098429 0.160702 O\n0.832193 0.449151 0.731937 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Er",
"O"
],
"chemical_system": "Er-O-Rb",
"density": 4.760977276934335,
"density_atomic": 0.04255155662511936,
"volume": 329.01264043852655,
"volume_molar": 14.152574518143394,
"formula_full": "Rb6 Er2 O6",
"formula_reduced": "Rb3ErO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6370900714285715,
"spacegroup": 12
}
]
}