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=nelements&page=4591",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4589",
"results": [
{
"id": "jvasp-112073",
"created_at": "2022-09-04T14:38:43.409034Z",
"updated_at": "2022-09-04T14:38:43.409051Z",
"structure_string": "H5 C8 S1 N1 O1\n1.0\n4.259888 -0.019871 0.251570\n1.458754 5.433413 0.863794\n-0.155274 0.040506 7.559378\nH C S N O\n5 8 1 1 1\ndirect\n0.728304 0.059924 0.578035 H\n0.202150 0.426454 0.954413 H\n0.191958 0.919745 0.310747 H\n0.241813 0.805838 0.643439 H\n0.636796 0.165184 0.247395 H\n0.327397 0.667230 0.555317 C\n0.298880 0.730514 0.370711 C\n0.499586 0.428169 0.628302 C\n0.422102 0.551879 0.259058 C\n0.630017 0.395087 0.811475 C\n0.485957 0.618976 0.067358 C\n0.603636 0.245829 0.518465 C\n0.552809 0.304917 0.334757 C\n0.666808 0.841379 0.000781 S\n0.418688 0.476943 0.948467 N\n0.924047 0.309246 0.840390 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.5461765651102315,
"density_atomic": 0.09128919920414816,
"volume": 175.2671744246494,
"volume_molar": 6.596772468704442,
"formula_full": "H5 C8 S1 N1 O1",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.502680421875,
"spacegroup": 1
},
{
"id": "jvasp-117157",
"created_at": "2022-09-04T14:38:48.847509Z",
"updated_at": "2022-09-04T14:38:48.847526Z",
"structure_string": "Na2 V2 H4 I4 O18\n1.0\n5.120652 0.000000 0.000000\n-0.000000 8.400385 3.231343\n-0.000000 0.080014 9.081694\nNa V H I O\n2 2 4 4 18\ndirect\n0.745293 0.038879 0.181373 Na\n0.245293 0.961120 0.818626 Na\n0.723376 0.726881 0.118213 V\n0.223377 0.273118 0.881786 V\n0.038239 0.117330 0.421021 H\n0.538238 0.882669 0.578978 H\n0.221054 0.030781 0.337003 H\n0.721054 0.969218 0.662996 H\n0.806333 0.325389 0.559933 I\n0.306333 0.674610 0.440067 I\n0.887435 0.624742 0.811034 I\n0.387435 0.375257 0.188965 I\n0.444174 0.218160 0.776122 O\n0.944174 0.781839 0.223877 O\n0.038598 0.116213 0.967526 O\n0.538598 0.883786 0.032473 O\n0.981467 0.393757 0.713528 O\n0.481467 0.606242 0.286472 O\n0.941953 0.122609 0.618179 O\n0.441953 0.877390 0.381820 O\n0.652607 0.523053 0.077477 O\n0.548515 0.572380 0.591726 O\n0.091485 0.750499 0.649047 O\n0.591485 0.249500 0.350952 O\n0.152607 0.476946 0.922522 O\n0.088889 0.118331 0.315199 O\n0.959709 0.744399 0.939271 O\n0.459709 0.255600 0.060728 O\n0.048516 0.427619 0.408273 O\n0.588889 0.881668 0.684801 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"V",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O-V",
"density": 4.0412153406256985,
"density_atomic": 0.07705561653572346,
"volume": 389.329179996786,
"volume_molar": 7.815317079720073,
"formula_full": "Na2 V2 H4 I4 O18",
"formula_reduced": "NaVH2I2O9",
"formula_anonymous": "ABC2D2E9",
"energy_above_hull": 2.3919884833333334,
"spacegroup": 4
},
{
"id": "jvasp-113078",
"created_at": "2022-09-04T14:38:46.971963Z",
"updated_at": "2022-09-04T14:38:46.971989Z",
"structure_string": "Na3 Ho1 Ti2 Nb2 O12\n1.0\n5.405417 -0.006459 0.004409\n0.066785 5.555255 0.006430\n0.000833 -0.006279 7.733652\nNa Ho Ti Nb O\n3 1 2 2 12\ndirect\n0.496218 0.533167 0.748638 Na\n-0.003551 0.010779 0.751684 Na\n0.511741 0.458151 0.250355 Na\n0.989958 0.933311 0.250412 Ho\n0.490212 0.984883 0.006489 Ti\n0.006724 0.478631 0.495966 Ti\n0.493952 0.994211 0.509795 Nb\n0.005710 0.478641 0.989966 Nb\n0.717635 0.727049 0.444405 O\n0.805403 0.202254 0.053113 O\n0.713661 0.729204 0.054985 O\n0.808593 0.207056 0.447179 O\n0.299060 0.309436 0.539714 O\n0.919034 0.492818 0.745797 O\n0.081195 0.529489 0.252222 O\n0.398882 0.035346 0.247050 O\n0.193808 0.807833 0.523689 O\n0.568122 0.977352 0.753984 O\n0.198532 0.808589 0.977436 O\n0.305119 0.301785 0.957119 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Ho",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ho-Na-Nb-O-Ti",
"density": 5.058407095002468,
"density_atomic": 0.08612030569305795,
"volume": 232.23326762543266,
"volume_molar": 6.992707133975532,
"formula_full": "Na3 Ho1 Ti2 Nb2 O12",
"formula_reduced": "Na3HoTi2Nb2O12",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.813920501666667,
"spacegroup": 1
},
{
"id": "jvasp-119207",
"created_at": "2022-09-04T14:38:52.241732Z",
"updated_at": "2022-09-04T14:38:52.241757Z",
"structure_string": "Ca2 La2 Ti3 Cu1 O12\n1.0\n3.874420 -0.000000 0.000000\n0.000000 3.874420 0.000000\n-0.000000 -0.000000 15.849741\nCa La Ti Cu O\n2 2 3 1 12\ndirect\n0.500000 0.500000 0.621433 Ca\n0.500000 0.500000 0.378567 Ca\n0.500000 0.500000 0.883818 La\n0.500000 0.500000 0.116182 La\n0.000000 0.000000 0.745180 Ti\n0.000000 0.000000 0.254820 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.377851 O\n0.000000 0.000000 0.622149 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.254134 O\n0.000000 0.000000 0.134116 O\n-0.000000 0.500000 0.745866 O\n0.500000 0.000000 0.745866 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.865884 O\n0.500000 0.000000 0.254134 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-La-O-Ti",
"density": 5.2840953321775865,
"density_atomic": 0.08406097637072743,
"volume": 237.9225279491829,
"volume_molar": 7.164014766425068,
"formula_full": "Ca2 La2 Ti3 Cu1 O12",
"formula_reduced": "Ca2La2Ti3CuO12",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.5529034145,
"spacegroup": 123
},
{
"id": "jvasp-112441",
"created_at": "2022-09-04T14:38:40.459559Z",
"updated_at": "2022-09-04T14:38:40.459584Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n4.931558 -0.000000 0.000000\n0.000000 6.279741 0.000000\n-0.000000 -0.000000 8.595314\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.521684 0.260260 0.734137 Li\n0.521684 0.739739 0.734137 Li\n0.910072 0.500000 0.927068 Li\n0.410072 0.000000 0.072932 Li\n0.021684 0.760260 0.265863 Li\n0.021684 0.239740 0.265863 Li\n0.519179 0.500000 0.359100 Fe\n0.019179 0.000000 0.640900 Fe\n0.029715 0.500000 0.584621 P\n0.529716 0.000000 0.415379 P\n0.947749 0.000000 0.968023 C\n0.447748 0.500000 0.031976 C\n0.933098 0.500000 0.411325 O\n0.343985 0.500000 0.584619 O\n0.416260 0.805459 0.324673 O\n0.416260 0.194540 0.324673 O\n0.653740 0.500000 0.126929 O\n0.200892 0.500000 0.081120 O\n0.916260 0.305460 0.675327 O\n0.503833 0.500000 0.883930 O\n0.700892 0.000000 0.918879 O\n0.153740 0.000000 0.873070 O\n0.916260 0.694540 0.675327 O\n0.433098 0.000000 0.588675 O\n0.003832 0.000000 0.116069 O\n0.843985 0.000000 0.415381 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.890150876512105,
"density_atomic": 0.09767551816387228,
"volume": 266.18747961366586,
"volume_molar": 6.165455656858177,
"formula_full": "Li6 Fe2 P2 C2 O14",
"formula_reduced": "Li3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.812005038461539,
"spacegroup": 31
},
{
"id": "jvasp-116800",
"created_at": "2022-09-04T14:38:43.232886Z",
"updated_at": "2022-09-04T14:38:43.232908Z",
"structure_string": "Sr4 Mn2 Cu4 S4 O4\n1.0\n5.347297 0.000051 1.770960\n-0.000019 5.632832 -0.000130\n-0.155569 0.000122 9.426596\nSr Mn Cu S O\n4 2 4 4 4\ndirect\n0.406263 0.000004 0.187494 Sr\n0.906263 0.500003 0.187495 Sr\n0.093734 0.499997 0.812516 Sr\n0.593734 -0.000003 0.812516 Sr\n0.499995 0.499999 0.000015 Mn\n0.999995 -0.000001 0.000013 Mn\n0.500019 0.749997 0.499990 Cu\n0.000020 0.249998 0.499990 Cu\n0.499979 0.250002 0.500000 Cu\n0.999981 0.750000 0.500000 Cu\n0.170881 0.999989 0.658260 S\n0.670882 0.499989 0.658259 S\n0.329129 0.500008 0.341719 S\n0.829129 0.000008 0.341720 S\n0.749999 0.750001 0.000004 O\n0.249999 0.750001 0.000004 O\n0.749999 0.250002 0.000004 O\n0.249999 0.250002 0.000004 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.274438832904756,
"density_atomic": 0.06305060566147976,
"volume": 285.4849657851415,
"volume_molar": 9.551281382343923,
"formula_full": "Sr4 Mn2 Cu4 S4 O4",
"formula_reduced": "Sr2MnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2495175290421454,
"spacegroup": 139
},
{
"id": "jvasp-111725",
"created_at": "2022-09-04T14:38:41.646876Z",
"updated_at": "2022-09-04T14:38:41.646901Z",
"structure_string": "V2 Fe2 Pb1 O8 F2\n1.0\n5.061869 0.031769 1.841515\n1.559366 4.815798 1.841515\n-0.153261 -0.112206 7.778642\nV Fe Pb O F\n2 2 1 8 2\ndirect\n0.559879 0.559878 0.250672 V\n0.440123 0.440122 0.749328 V\n0.500000 -0.000000 0.500000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pb\n0.670409 0.670408 0.405128 O\n0.329592 0.329592 0.594872 O\n0.302058 0.302057 0.965881 O\n0.697943 0.697943 0.034119 O\n0.682979 0.198124 0.281007 O\n0.317023 0.801876 0.718993 O\n0.801877 0.317021 0.718993 O\n0.198124 0.682978 0.281007 O\n0.832311 0.832311 0.591619 F\n0.167690 0.167689 0.408381 F\n",
"nsites": 15,
"nelements": 5,
"elements": [
"V",
"Fe",
"Pb",
"O",
"F"
],
"chemical_system": "F-Fe-O-Pb-V",
"density": 5.093074695992752,
"density_atomic": 0.07840757133568696,
"volume": 191.3080553889417,
"volume_molar": 7.680560253827223,
"formula_full": "V2 Fe2 Pb1 O8 F2",
"formula_reduced": "V2Fe2Pb(O4F)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 2.749464585666667,
"spacegroup": 12
},
{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.656876127720384,
"density_atomic": 0.097265353877501,
"volume": 267.30998205944127,
"volume_molar": 6.191455148134731,
"formula_full": "Fe2 P2 H6 C2 O14",
"formula_reduced": "FePH3CO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 3.389145038461538,
"spacegroup": 2
},
{
"id": "jvasp-59832",
"created_at": "2022-09-04T14:38:36.252175Z",
"updated_at": "2022-09-04T14:38:36.252204Z",
"structure_string": "Y2 Sn6 Se4 Cl2 O16\n1.0\n7.126600 0.000000 0.000000\n0.000000 7.399157 0.000000\n0.000000 0.000000 10.458472\nY Sn Se Cl O\n2 6 4 2 16\ndirect\n0.500000 0.678603 0.000000 Y\n0.000000 0.321398 0.500000 Y\n0.750000 0.000000 0.750000 Sn\n0.750000 0.000000 0.250000 Sn\n0.250000 0.000000 0.750000 Sn\n0.000000 0.833484 0.500000 Sn\n0.500000 0.166517 0.000000 Sn\n0.250000 0.000000 0.250000 Sn\n0.500000 0.438699 0.318632 Se\n0.000000 0.561301 0.181368 Se\n0.000000 0.561301 0.818632 Se\n0.500000 0.438699 0.681368 Se\n0.500000 0.879822 0.500000 Cl\n0.000000 0.120178 0.000000 Cl\n0.190538 0.701055 0.151236 O\n0.809462 0.701055 0.151236 O\n0.690538 0.298945 0.651236 O\n0.000000 0.071723 0.375628 O\n0.500000 0.928278 0.124372 O\n0.309462 0.298945 0.651236 O\n0.190538 0.701055 0.848763 O\n0.500000 0.928278 0.875628 O\n0.309462 0.298945 0.348764 O\n0.690538 0.298945 0.348764 O\n0.809462 0.701055 0.848763 O\n0.000000 0.559927 0.349647 O\n0.500000 0.440074 0.849647 O\n0.000000 0.559927 0.650353 O\n0.000000 0.071723 0.624372 O\n0.500000 0.440074 0.150353 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Sn",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Sn-Y",
"density": 4.615343403168118,
"density_atomic": 0.05439868364321848,
"volume": 551.483932897334,
"volume_molar": 11.070379569287134,
"formula_full": "Y2 Sn6 Se4 Cl2 O16",
"formula_reduced": "YSn3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.088285290055555,
"spacegroup": 59
},
{
"id": "jvasp-112533",
"created_at": "2022-09-04T14:38:41.176564Z",
"updated_at": "2022-09-04T14:38:41.176598Z",
"structure_string": "Yb2 Co1 Te2 S2 O14\n1.0\n5.016057 0.098694 -1.732817\n-1.440607 6.845123 -2.886135\n-0.142580 0.023297 7.925200\nYb Co Te S O\n2 1 2 2 14\ndirect\n0.136908 0.245775 0.512530 Yb\n0.863092 0.754225 0.487469 Yb\n0.500000 0.500000 -0.000001 Co\n0.107327 0.769510 0.142731 Te\n0.892673 0.230489 0.857268 Te\n0.565781 0.249577 0.248446 S\n0.434219 0.750423 0.751553 S\n0.552826 0.324143 0.779782 O\n0.447173 0.675857 0.220216 O\n0.119331 0.447276 0.852375 O\n0.880669 0.552723 0.147624 O\n0.568599 0.706327 0.934231 O\n0.431401 0.293673 0.065768 O\n0.724481 0.427967 0.425183 O\n0.750593 0.115504 0.205387 O\n0.149505 0.913295 0.402470 O\n0.275519 0.572032 0.574816 O\n0.668394 0.837702 0.730331 O\n0.331606 0.162298 0.269668 O\n0.249407 0.884496 0.794612 O\n0.850495 0.086705 0.597529 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Yb",
"Co",
"Te",
"S",
"O"
],
"chemical_system": "Co-O-S-Te-Yb",
"density": 5.789775547582744,
"density_atomic": 0.07720941103889062,
"volume": 271.98756883953223,
"volume_molar": 7.799749640580252,
"formula_full": "Yb2 Co1 Te2 S2 O14",
"formula_reduced": "Yb2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy_above_hull": 2.3925017539682543,
"spacegroup": 2
},
{
"id": "jvasp-112513",
"created_at": "2022-09-04T14:38:41.027524Z",
"updated_at": "2022-09-04T14:38:41.027550Z",
"structure_string": "Li4 Fe2 B2 As2 O14\n1.0\n6.232686 -0.000000 0.000000\n0.000000 5.066615 0.310448\n-0.000000 0.046460 8.624091\nLi Fe B As O\n4 2 2 2 14\ndirect\n0.022282 0.768857 0.804264 Li\n0.477718 0.768857 0.804264 Li\n0.522283 0.231144 0.195736 Li\n0.977718 0.231144 0.195736 Li\n0.250000 0.208039 0.681233 Fe\n0.750000 0.791961 0.318767 Fe\n0.250000 0.270465 0.951366 B\n0.750000 0.729536 0.048634 B\n0.750000 0.282470 0.570783 As\n0.250000 0.717531 0.429217 As\n0.750000 0.531240 0.173659 O\n0.045073 0.819574 0.304810 O\n0.454928 0.819574 0.304810 O\n0.750000 0.141410 0.395267 O\n0.250000 0.379069 0.474474 O\n0.750000 0.620932 0.525526 O\n0.250000 0.026660 0.880687 O\n0.545073 0.180426 0.695190 O\n0.954928 0.180426 0.695190 O\n0.250000 0.468761 0.826341 O\n0.750000 0.973341 0.119313 O\n0.750000 0.693066 0.898807 O\n0.250000 0.858591 0.604733 O\n0.250000 0.306935 0.101194 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Fe",
"B",
"As",
"O"
],
"chemical_system": "As-B-Fe-Li-O",
"density": 3.262626523759246,
"density_atomic": 0.08815524164482418,
"volume": 272.2469991823691,
"volume_molar": 6.831290627349299,
"formula_full": "Li4 Fe2 B2 As2 O14",
"formula_reduced": "Li2FeBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.7470336944444447,
"spacegroup": 11
},
{
"id": "jvasp-110944",
"created_at": "2022-09-04T14:38:48.275021Z",
"updated_at": "2022-09-04T14:38:48.275048Z",
"structure_string": "Ba1 Sm1 Fe1 Cu1 O5\n1.0\n3.924349 0.000000 0.000000\n0.000000 3.924349 0.000000\n-0.000000 -0.000000 7.683975\nBa Sm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.727170 Ba\n0.500000 0.500000 0.203212 Sm\n0.000000 0.000000 0.448602 Fe\n0.000000 0.000000 0.993677 Cu\n0.500000 0.000000 0.398359 O\n-0.000000 0.500000 0.398359 O\n0.500000 0.000000 0.015112 O\n-0.000000 0.500000 0.015112 O\n0.000000 0.000000 0.688393 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Sm",
"density": 6.834767525957598,
"density_atomic": 0.07605387036016185,
"volume": 118.33717281421004,
"volume_molar": 7.918256798084646,
"formula_full": "Ba1 Sm1 Fe1 Cu1 O5",
"formula_reduced": "BaSmFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.892336477222222,
"spacegroup": 99
}
]
}