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=366",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=364",
"results": [
{
"id": "jvasp-9363",
"created_at": "2022-09-04T14:37:20.223125Z",
"updated_at": "2022-09-04T14:37:20.223155Z",
"structure_string": "Ba1 Zn1 Fe4 O8\n1.0\n2.689628 -4.658573 -0.000000\n2.689628 4.658573 -0.000000\n-0.000000 -0.000000 7.246895\nBa Zn Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.740883 Fe\n0.666667 0.333333 0.740883 Fe\n0.333333 0.666667 0.259118 Fe\n0.666667 0.333333 0.259118 Fe\n0.315330 0.315330 0.676863 O\n0.684670 0.000000 0.676863 O\n0.000000 0.684670 0.676863 O\n0.684671 0.684671 0.323138 O\n0.000000 0.315330 0.323138 O\n0.315330 0.000000 0.323138 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Zn",
"density": 5.06662706590097,
"density_atomic": 0.07709051528241262,
"volume": 181.60470128799295,
"volume_molar": 7.811779098814621,
"formula_full": "Ba1 Zn1 Fe4 O8",
"formula_reduced": "BaZn(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.642876883571428,
"spacegroup": 162
},
{
"id": "jvasp-9499",
"created_at": "2022-09-04T14:37:12.686381Z",
"updated_at": "2022-09-04T14:37:12.686413Z",
"structure_string": "Sr4 Cr2 S2 O6\n1.0\n3.931232 -0.000000 -0.000000\n-0.000000 3.931232 -0.000000\n-0.000000 0.000000 13.658643\nSr Cr S O\n4 2 2 6\ndirect\n0.000000 0.000000 0.864693 Sr\n0.500000 0.500000 0.135307 Sr\n0.000000 0.000000 0.598260 Sr\n0.500000 0.500000 0.401740 Sr\n0.500000 0.500000 0.723917 Cr\n0.000000 0.000000 0.276082 Cr\n0.500000 0.500000 0.907234 S\n0.000000 0.000000 0.092765 S\n0.500000 0.000000 0.726521 O\n0.000000 0.500000 0.726521 O\n0.000000 0.500000 0.273479 O\n0.500000 0.000000 0.273479 O\n0.500000 0.500000 0.583194 O\n0.000000 0.000000 0.416806 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-O-S-Sr",
"density": 4.834769365685485,
"density_atomic": 0.06632284281366393,
"volume": 211.0886597447795,
"volume_molar": 9.0800401558772,
"formula_full": "Sr4 Cr2 S2 O6",
"formula_reduced": "Sr2CrSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.7315086457142863,
"spacegroup": 129
},
{
"id": "jvasp-49726",
"created_at": "2022-09-04T14:37:20.197305Z",
"updated_at": "2022-09-04T14:37:20.197325Z",
"structure_string": "Ca6 Fe2 Rh2 O12\n1.0\n6.409717 0.001523 -0.181481\n-0.186736 6.406996 -0.181481\n0.001479 0.001523 6.412286\nCa Fe Rh O\n6 2 2 12\ndirect\n0.618827 0.881173 0.250000 Ca\n0.250000 0.618827 0.881174 Ca\n0.881173 0.249999 0.618828 Ca\n0.381173 0.118826 0.750001 Ca\n0.118826 0.750000 0.381174 Ca\n0.750000 0.381173 0.118827 Ca\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.960500 0.097437 0.299428 O\n0.539500 0.200572 0.402563 O\n0.402562 0.539500 0.200572 O\n0.200572 0.402562 0.539500 O\n0.700572 0.039499 0.902563 O\n0.799428 0.597438 0.460501 O\n0.039499 0.902562 0.700573 O\n0.460500 0.799428 0.597439 O\n0.597438 0.460500 0.799429 O\n0.299427 0.960500 0.097438 O\n0.902562 0.700572 0.039500 O\n0.097438 0.299428 0.960501 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Rh",
"O"
],
"chemical_system": "Ca-Fe-O-Rh",
"density": 4.729042291662994,
"density_atomic": 0.0835425329270162,
"volume": 263.3389152710928,
"volume_molar": 7.208472797037428,
"formula_full": "Ca6 Fe2 Rh2 O12",
"formula_reduced": "Ca3FeRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.931172796363636,
"spacegroup": 167
},
{
"id": "jvasp-49182",
"created_at": "2022-09-04T14:37:13.373176Z",
"updated_at": "2022-09-04T14:37:13.373199Z",
"structure_string": "Sr4 Al6 S1 O16\n1.0\n7.665400 -0.000000 -2.710128\n-3.832700 6.638431 -2.710128\n0.000000 0.000000 8.130385\nSr Al S O\n4 6 1 16\ndirect\n0.388784 0.388784 0.388784 Sr\n0.611216 0.000000 -0.000000 Sr\n0.000000 0.000000 0.611215 Sr\n-0.000000 0.611216 -0.000000 Sr\n0.500000 0.250000 0.749999 Al\n0.250000 0.500000 0.749999 Al\n0.250000 0.750000 0.499999 Al\n0.750000 0.500000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.750000 0.250000 0.499999 Al\n0.000000 0.000000 0.000000 S\n0.602901 0.304706 0.602901 O\n0.183331 0.000000 -0.000000 O\n0.397099 0.000000 0.701804 O\n0.816669 0.816669 0.816668 O\n-0.000000 0.397099 0.701804 O\n0.298196 0.298196 0.695294 O\n-0.000000 0.701804 0.397098 O\n0.397099 0.701804 -0.000000 O\n0.695294 0.298196 0.298195 O\n0.701804 0.397099 -0.000000 O\n0.602901 0.602901 0.304705 O\n0.304706 0.602901 0.602901 O\n0.701804 0.000000 0.397098 O\n0.298196 0.695294 0.298195 O\n-0.000000 0.183331 -0.000000 O\n0.000000 0.000000 0.183331 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Sr",
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S-Sr",
"density": 3.2126111549952,
"density_atomic": 0.06526079874186046,
"volume": 413.7246328657221,
"volume_molar": 9.227807314802597,
"formula_full": "Sr4 Al6 S1 O16",
"formula_reduced": "Sr4Al6SO16",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.1802332607407404,
"spacegroup": 217
},
{
"id": "jvasp-40726",
"created_at": "2022-09-04T14:37:20.196883Z",
"updated_at": "2022-09-04T14:37:20.196898Z",
"structure_string": "Li4 V8 O12 F4\n1.0\n5.784142 -0.000426 -0.000016\n0.000319 6.068663 -0.001099\n0.000676 0.001570 8.482303\nLi V O F\n4 8 12 4\ndirect\n0.015839 0.000003 0.019389 Li\n0.515874 0.000001 0.230537 Li\n0.484154 0.499998 0.519385 Li\n0.984134 0.500003 0.730533 Li\n0.499982 0.749959 0.875007 V\n0.499983 0.250038 0.875006 V\n0.260037 -0.000000 0.646438 V\n0.759805 -0.000001 0.603578 V\n0.000016 0.249960 0.375010 V\n0.239970 0.500000 0.146440 V\n0.740192 0.500000 0.103577 V\n0.000021 0.750037 0.375005 V\n0.014342 0.777080 0.610279 O\n0.727736 0.500000 0.877710 O\n0.272350 -0.000003 0.872319 O\n0.514353 0.776898 0.639720 O\n0.514354 0.223100 0.639718 O\n0.014344 0.222921 0.610283 O\n0.485656 0.277070 0.110281 O\n0.227649 0.499999 0.372317 O\n0.985644 0.276909 0.139722 O\n0.985654 0.723091 0.139718 O\n0.485661 0.722929 0.110283 O\n0.772262 -0.000005 0.377712 O\n0.749707 0.000000 0.872032 F\n0.750290 0.499998 0.372034 F\n0.249796 0.000003 0.377978 F\n0.250207 0.499996 0.877978 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.9222302835449323,
"density_atomic": 0.09403992312183955,
"volume": 297.745883561844,
"volume_molar": 6.403812933999982,
"formula_full": "Li4 V8 O12 F4",
"formula_reduced": "LiV2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3287484546428576,
"spacegroup": 62
},
{
"id": "jvasp-33034",
"created_at": "2022-09-04T14:37:31.442205Z",
"updated_at": "2022-09-04T14:37:31.442229Z",
"structure_string": "Hg1 H12 Cl2 O14\n1.0\n7.911743 -0.000027 -0.000004\n-3.955895 6.851701 -0.000054\n-0.000001 -0.000043 5.403399\nHg H Cl O\n1 12 2 14\ndirect\n0.000000 0.000000 0.000000 Hg\n0.356009 0.278529 0.265151 H\n0.922523 0.643988 0.265147 H\n0.721468 0.077485 0.265145 H\n0.356008 0.077478 0.265150 H\n0.721471 0.643984 0.265143 H\n0.922521 0.278537 0.265149 H\n0.643991 0.721471 0.734851 H\n0.077477 0.356012 0.734854 H\n0.278532 0.922514 0.734856 H\n0.643993 0.922522 0.734851 H\n0.278529 0.356016 0.734858 H\n0.077479 0.721463 0.734854 H\n0.333335 0.666667 0.188297 Cl\n0.666666 0.333332 0.811705 Cl\n0.666665 0.333333 0.080462 O\n0.272486 0.136242 0.273929 O\n0.863759 0.727514 0.273931 O\n0.863756 0.136246 0.273937 O\n0.727514 0.863757 0.726073 O\n0.136241 0.272486 0.726071 O\n0.136244 0.863754 0.726065 O\n0.867323 0.433662 0.720134 O\n0.566336 0.132674 0.720128 O\n0.566339 0.433661 0.720136 O\n0.132677 0.566337 0.279868 O\n0.433664 0.867325 0.279873 O\n0.433662 0.566337 0.279866 O\n0.333335 0.666667 0.919539 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 2.8775263326206333,
"density_atomic": 0.09900593771552324,
"volume": 292.91172498488504,
"volume_molar": 6.082605648666851,
"formula_full": "Hg1 H12 Cl2 O14",
"formula_reduced": "HgH12(ClO7)2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 2.777338680517241,
"spacegroup": 164
},
{
"id": "jvasp-48644",
"created_at": "2022-09-04T14:37:13.390568Z",
"updated_at": "2022-09-04T14:37:13.390593Z",
"structure_string": "Li6 V4 O8 F4\n1.0\n0.000000 5.065553 0.103924\n5.753232 0.000000 0.000000\n0.000000 -0.195090 -7.244414\nLi V O F\n6 4 8 4\ndirect\n0.310600 0.998309 0.373625 Li\n0.689399 0.001690 0.626375 Li\n0.848956 0.750000 0.362310 Li\n0.310600 0.501690 0.373625 Li\n0.689399 0.498310 0.626375 Li\n0.151044 0.250000 0.637690 Li\n0.000000 0.000000 0.000000 V\n0.488080 0.750000 0.988064 V\n0.000000 0.500000 0.000000 V\n0.511919 0.250000 0.011936 V\n0.185999 0.250000 0.147336 O\n0.826451 0.250000 0.849032 O\n0.675187 0.507578 0.143262 O\n0.324812 0.492422 0.856738 O\n0.324812 0.007578 0.856738 O\n0.814000 0.750000 0.852664 O\n0.675187 0.992421 0.143262 O\n0.173548 0.750000 0.150968 O\n-0.000000 0.500000 0.500000 F\n-0.000000 0.000000 0.500000 F\n0.524337 0.750000 0.484654 F\n0.475662 0.250000 0.515346 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.536559314913501,
"density_atomic": 0.1042607095553705,
"volume": 211.0094981496006,
"volume_molar": 5.7760404525175195,
"formula_full": "Li6 V4 O8 F4",
"formula_reduced": "Li3V2(O2F)2",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 1.9717220877272723,
"spacegroup": 11
},
{
"id": "jvasp-28670",
"created_at": "2022-09-04T14:37:32.498257Z",
"updated_at": "2022-09-04T14:37:32.498265Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223463 -0.000000 -0.000000\n-1.611732 2.791594 -0.000039\n-0.000000 -0.000459 33.597525\nMo W Se S\n2 2 2 6\ndirect\n0.333291 0.666582 0.095798 Mo\n0.666666 0.333335 0.659319 Mo\n0.333374 0.666747 0.466782 W\n0.666667 0.333333 0.281016 W\n0.333342 0.666684 0.710193 Se\n0.333326 0.666653 0.608391 Se\n0.333335 0.666671 0.327589 S\n0.666613 0.333226 0.049510 S\n0.666697 0.333392 0.420212 S\n0.666637 0.333274 0.142125 S\n0.666716 0.333432 0.513371 S\n0.333330 0.666661 0.234444 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.997424156707657,
"density_atomic": 0.03969163733656641,
"volume": 302.33068740011015,
"volume_molar": 15.172316296591848,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.751744877777777,
"spacegroup": 156
},
{
"id": "jvasp-21735",
"created_at": "2022-09-04T14:37:31.392093Z",
"updated_at": "2022-09-04T14:37:31.392120Z",
"structure_string": "Li2 Pr4 Ir2 O12\n1.0\n0.000000 5.475844 0.001827\n5.790105 0.000000 0.000000\n0.000000 -5.406891 -7.801317\nLi Pr Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.767020 0.067101 0.251343 Pr\n0.232980 0.567101 0.248657 Pr\n0.767020 0.432898 0.751343 Pr\n0.232980 0.932898 0.748657 Pr\n0.499999 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.841469 0.193111 0.545177 O\n0.158531 0.693110 0.954823 O\n0.158531 0.806889 0.454823 O\n0.841468 0.306889 0.045177 O\n0.340906 0.522347 0.752712 O\n0.734716 0.788238 0.047550 O\n0.265283 0.211762 0.952450 O\n0.734716 0.711761 0.547550 O\n0.659094 0.477652 0.247288 O\n0.265283 0.288238 0.452450 O\n0.659094 0.022347 0.747288 O\n0.340905 0.977652 0.252712 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Pr",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Pr",
"density": 7.748668943859537,
"density_atomic": 0.08087699423156641,
"volume": 247.28911095207306,
"volume_molar": 7.446049172843208,
"formula_full": "Li2 Pr4 Ir2 O12",
"formula_reduced": "LiPr2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5247791800000003,
"spacegroup": 14
},
{
"id": "jvasp-34456",
"created_at": "2022-09-04T14:37:14.281399Z",
"updated_at": "2022-09-04T14:37:14.281418Z",
"structure_string": "Mg4 Bi2 P2 O12\n1.0\n5.325140 -0.000000 -0.000000\n-0.000000 6.565559 -2.858823\n0.000000 -0.009502 7.160958\nMg Bi P O\n4 2 2 12\ndirect\n0.250000 0.900617 0.708845 Mg\n0.250000 0.291155 0.099383 Mg\n0.750000 0.099383 0.291155 Mg\n0.750000 0.708845 0.900618 Mg\n0.750000 0.599006 0.400995 Bi\n0.250000 0.400994 0.599006 Bi\n0.250000 0.802268 0.197733 P\n0.750000 0.197733 0.802268 P\n0.750000 0.431557 0.893768 O\n0.007538 0.876346 0.123655 O\n0.500000 0.673103 0.673104 O\n0.000000 0.673103 0.673104 O\n0.250000 0.568444 0.106233 O\n0.507538 0.123655 0.876346 O\n0.750000 0.106233 0.568444 O\n0.250000 0.893767 0.431557 O\n0.992462 0.123655 0.876346 O\n0.000000 0.326897 0.326897 O\n0.500000 0.326897 0.326897 O\n0.492462 0.876346 0.123655 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Mg-O-P",
"density": 5.104121094477684,
"density_atomic": 0.07992950586974693,
"volume": 250.22048844630652,
"volume_molar": 7.534315012298058,
"formula_full": "Mg4 Bi2 P2 O12",
"formula_reduced": "Mg2BiPO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7449468900000005,
"spacegroup": 63
},
{
"id": "jvasp-10710",
"created_at": "2022-09-04T14:37:20.129300Z",
"updated_at": "2022-09-04T14:37:20.129329Z",
"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n4.039956 0.000000 0.000000\n-2.019978 6.945563 0.000000\n0.000000 -0.000000 13.923292\nRb Sm Cu S\n2 4 2 8\ndirect\n0.892622 0.785243 0.250000 Rb\n0.107378 0.214756 0.750000 Rb\n0.365744 0.731488 0.938115 Sm\n0.634256 0.268511 0.438115 Sm\n0.365744 0.731488 0.561885 Sm\n0.634256 0.268511 0.061885 Sm\n0.836144 0.672288 0.750000 Cu\n0.163856 0.327712 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.572928 0.145854 0.250000 S\n0.427073 0.854145 0.750000 S\n0.261634 0.523268 0.388453 S\n0.738366 0.476732 0.888453 S\n0.738366 0.476732 0.611547 S\n0.261634 0.523268 0.111547 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-Sm",
"density": 4.913333591514718,
"density_atomic": 0.04095377701167484,
"volume": 390.6843560592427,
"volume_molar": 14.70472615574199,
"formula_full": "Rb2 Sm4 Cu2 S8",
"formula_reduced": "RbSm2CuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1278810249999998,
"spacegroup": 63
},
{
"id": "jvasp-50036",
"created_at": "2022-09-04T14:37:34.982790Z",
"updated_at": "2022-09-04T14:37:34.982801Z",
"structure_string": "Ti2 Cu3 Te3 O16\n1.0\n5.950925 -0.005632 0.003212\n-2.970188 5.593728 0.030821\n-0.006140 -0.529569 9.087187\nTi Cu Te O\n2 3 3 16\ndirect\n0.361523 0.723069 0.466137 Ti\n0.696032 0.392046 0.008007 Ti\n0.676493 0.853921 0.193271 Cu\n0.177531 0.853940 0.193254 Cu\n0.815769 0.631605 0.703164 Cu\n0.178814 0.357564 0.220579 Te\n0.818760 0.136755 0.717839 Te\n0.317961 0.136737 0.717832 Te\n0.867993 0.243295 0.095750 O\n0.614605 0.229270 0.587251 O\n0.503790 0.444436 0.822338 O\n0.940633 0.444454 0.822336 O\n0.130166 0.260393 0.599617 O\n0.845923 0.691787 0.084353 O\n0.043691 0.506167 0.366412 O\n0.017695 0.035297 0.291750 O\n0.160667 0.823382 0.614837 O\n0.012765 0.025516 0.841534 O\n0.516312 0.032613 0.850072 O\n0.328073 0.656073 0.109460 O\n0.474453 0.948822 0.332861 O\n0.662673 0.823387 0.614853 O\n0.462501 0.506169 0.366448 O\n0.375362 0.243302 0.095768 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te-Ti",
"density": 5.07952580848297,
"density_atomic": 0.0793537292651972,
"volume": 302.443252790211,
"volume_molar": 7.588982667562138,
"formula_full": "Ti2 Cu3 Te3 O16",
"formula_reduced": "Ti2Cu3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 2.4788182215277783,
"spacegroup": 8
}
]
}