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=4013",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4011",
"results": [
{
"id": "jvasp-116979",
"created_at": "2022-09-04T14:38:45.753248Z",
"updated_at": "2022-09-04T14:38:45.753271Z",
"structure_string": "Na6 Dy2 Br12\n1.0\n7.690819 0.000000 0.000000\n-0.000000 5.899496 3.937981\n0.000000 -0.165637 12.743732\nNa Dy Br\n6 2 12\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.096943 0.705092 0.755990 Na\n0.903057 0.294908 0.244010 Na\n0.596943 0.294907 0.744010 Na\n0.403057 0.705093 0.255990 Na\n0.500000 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.678080 0.394114 0.428497 Br\n0.321920 0.605886 0.571503 Br\n0.057311 0.908208 0.241910 Br\n0.942689 0.091792 0.758090 Br\n0.557311 0.091792 0.258090 Br\n0.187910 0.241615 0.423060 Br\n0.687910 0.758385 0.076940 Br\n0.312090 0.241615 0.923060 Br\n0.821920 0.394114 0.928497 Br\n0.812090 0.758385 0.576940 Br\n0.442689 0.908208 0.741910 Br\n0.178080 0.605886 0.071503 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Na",
"density": 4.048067086405287,
"density_atomic": 0.03429210760578292,
"volume": 583.224578375791,
"volume_molar": 17.561302528353327,
"formula_full": "Na6 Dy2 Br12",
"formula_reduced": "Na3DyBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-113024",
"created_at": "2022-09-04T14:38:45.868249Z",
"updated_at": "2022-09-04T14:38:45.868270Z",
"structure_string": "Er4 Mg2 Ti2 O12\n1.0\n5.589257 0.000000 0.000000\n-0.000000 4.347622 2.964429\n-0.000000 0.012153 9.233454\nEr Mg Ti O\n4 2 2 12\ndirect\n0.069158 0.728640 0.752050 Er\n0.930843 0.271359 0.247950 Er\n0.569158 0.271358 0.747950 Er\n0.430842 0.728641 0.252050 Er\n0.500000 0.500000 0.000000 Mg\n0.000000 0.499999 0.500000 Mg\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.687579 0.360158 0.442467 O\n0.312421 0.639841 0.557533 O\n0.701961 0.752413 0.064066 O\n0.298040 0.247586 0.935934 O\n0.201961 0.247586 0.435934 O\n0.545161 0.125166 0.256139 O\n0.045161 0.874833 0.243862 O\n0.954840 0.125166 0.756138 O\n0.812422 0.360157 0.942467 O\n0.454840 0.874833 0.743861 O\n0.798040 0.752413 0.564066 O\n0.187579 0.639842 0.057533 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Er",
"Mg",
"Ti",
"O"
],
"chemical_system": "Er-Mg-O-Ti",
"density": 7.447253082403859,
"density_atomic": 0.08921746510961619,
"volume": 224.17135451480482,
"volume_molar": 6.74995725624008,
"formula_full": "Er4 Mg2 Ti2 O12",
"formula_reduced": "Er2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0571918383333334,
"spacegroup": 14
},
{
"id": "jvasp-113211",
"created_at": "2022-09-04T14:38:46.328286Z",
"updated_at": "2022-09-04T14:38:46.328303Z",
"structure_string": "Cr4 O4 F4\n1.0\n4.508060 0.000001 -0.000006\n-0.000006 5.530308 -0.135886\n0.000003 0.005901 5.064837\nCr O F\n4 4 4\ndirect\n0.979595 0.149516 0.273761 Cr\n0.479594 0.350485 0.726238 Cr\n0.520404 0.649515 0.273760 Cr\n0.020404 0.850485 0.726239 Cr\n0.771379 0.888071 0.426801 O\n0.728620 0.388070 0.426802 O\n0.271379 0.611930 0.573197 O\n0.228620 0.111930 0.573198 O\n0.243621 0.887330 0.080036 F\n0.256378 0.387330 0.080037 F\n0.743621 0.612670 0.919963 F\n0.756378 0.112670 0.919963 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.575947078532703,
"density_atomic": 0.09503078864068427,
"volume": 126.27486493216998,
"volume_molar": 6.3370417589292956,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2990403941666668,
"spacegroup": 14
},
{
"id": "jvasp-112245",
"created_at": "2022-09-04T14:38:45.971166Z",
"updated_at": "2022-09-04T14:38:45.971187Z",
"structure_string": "H24 C16 O12\n1.0\n8.312042 0.000000 -3.327851\n0.000000 4.605828 0.000000\n-0.205945 0.000000 11.256383\nH C O\n24 16 12\ndirect\n0.854302 0.926442 0.488740 H\n0.908583 0.053838 0.902087 H\n0.091416 0.946162 0.097913 H\n0.091416 0.553838 0.597912 H\n0.908583 0.446162 0.402087 H\n0.690524 0.083876 0.799460 H\n0.309476 0.916125 0.200539 H\n0.309475 0.583876 0.700539 H\n0.690524 0.416125 0.299461 H\n0.390724 0.647197 0.493429 H\n0.390723 0.852804 0.993429 H\n0.609276 0.147197 0.006571 H\n0.609276 0.352804 0.506571 H\n0.984642 0.277471 0.226691 H\n0.145697 0.073559 0.511260 H\n0.015357 0.722529 0.773309 H\n0.854302 0.573559 -0.011260 H\n0.636614 0.891132 0.384839 H\n0.363385 0.108868 0.615160 H\n0.145698 0.426442 0.011260 H\n0.636614 0.608868 0.884839 H\n0.015357 0.777472 0.273309 H\n0.984642 0.222529 0.726690 H\n0.363385 0.391132 0.115160 H\n0.206347 0.445068 0.649686 C\n0.761488 0.663400 0.901838 C\n0.238511 0.336601 0.098162 C\n0.238511 0.163399 0.598162 C\n0.761489 0.836601 0.401838 C\n0.793652 0.945068 0.850313 C\n0.206347 0.054932 0.149686 C\n0.793652 0.554933 0.350313 C\n0.328180 0.094073 0.841124 C\n0.194552 0.334345 0.216562 C\n0.194551 0.165655 0.716562 C\n0.805448 0.834345 0.283438 C\n0.671818 0.594073 0.658875 C\n0.328181 0.405928 0.341125 C\n0.671819 0.905928 0.158875 C\n0.805448 0.665656 0.783437 C\n0.039132 0.062415 0.699498 O\n0.960868 0.937586 0.300502 O\n0.536405 0.713620 0.624589 O\n0.463595 0.286380 0.375411 O\n0.463594 0.213620 0.875411 O\n0.292775 0.609769 0.408841 O\n0.707224 0.390231 0.591158 O\n0.292775 0.890231 0.908841 O\n0.707224 0.109769 0.091158 O\n0.039132 0.437586 0.199498 O\n0.536405 0.786381 0.124589 O\n0.960867 0.562415 0.800501 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5851308668943536,
"density_atomic": 0.12155755595122747,
"volume": 427.7808943515116,
"volume_molar": 4.954147615814407,
"formula_full": "H24 C16 O12",
"formula_reduced": "H6C4O3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.386819269230768,
"spacegroup": 14
},
{
"id": "jvasp-113193",
"created_at": "2022-09-04T14:38:46.232572Z",
"updated_at": "2022-09-04T14:38:46.232588Z",
"structure_string": "Co6 P4 O16\n1.0\n4.736850 0.000082 0.000072\n-0.000117 5.896110 -0.109269\n-0.000131 -0.057617 10.227228\nCo P O\n6 4 16\ndirect\n0.499999 0.500001 0.500002 Co\n0.015404 0.761285 0.722889 Co\n0.484593 0.761284 0.222888 Co\n0.000000 0.499998 -0.000003 Co\n0.515405 0.238715 0.777111 Co\n0.984594 0.238717 0.277111 Co\n0.927535 0.746629 0.403010 P\n0.572464 0.746630 0.903010 P\n0.072464 0.253369 0.596990 P\n0.427537 0.253371 0.096989 P\n0.251487 0.733236 0.399148 O\n0.807127 0.944864 0.322805 O\n0.692877 0.944866 0.822808 O\n0.751489 0.266763 0.100852 O\n0.248513 0.733240 0.899148 O\n0.748513 0.266758 0.600852 O\n0.809182 0.745883 0.544580 O\n0.276848 0.467388 0.164918 O\n0.690816 0.745877 0.044580 O\n0.190815 0.254122 0.455420 O\n0.776847 0.532611 0.335082 O\n0.307128 0.055135 0.177195 O\n0.223147 0.467385 0.664921 O\n0.723147 0.532614 0.835079 O\n0.309184 0.254116 0.955420 O\n0.192878 0.055133 0.677192 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.264541111184195,
"density_atomic": 0.09103440234489821,
"volume": 285.6063128914154,
"volume_molar": 6.615236223756562,
"formula_full": "Co6 P4 O16",
"formula_reduced": "Co3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1926585923076924,
"spacegroup": 14
},
{
"id": "jvasp-112206",
"created_at": "2022-09-04T14:38:46.603582Z",
"updated_at": "2022-09-04T14:38:46.603609Z",
"structure_string": "H32 C12\n1.0\n3.481593 0.000000 -2.007996\n0.000000 12.373780 0.000000\n0.001553 0.000000 7.705357\nH C\n32 12\ndirect\n0.745553 0.051226 0.690196 H\n0.364954 0.227572 0.219623 H\n0.635044 0.772428 0.780376 H\n0.635044 0.727572 0.280376 H\n0.364954 0.272428 0.719623 H\n0.672681 0.203881 0.479340 H\n0.327317 0.796119 0.520659 H\n0.327317 0.703881 0.020659 H\n0.672681 0.296119 0.979340 H\n0.867868 0.244141 0.327245 H\n0.132130 0.755859 0.672754 H\n0.867868 0.255859 0.827245 H\n0.846770 0.402181 0.530892 H\n0.153229 0.597819 0.469108 H\n0.153228 0.902181 0.969108 H\n0.846770 0.097819 0.030892 H\n0.132131 0.744141 0.172754 H\n0.649071 0.617216 0.570155 H\n0.254445 0.948774 0.309804 H\n0.350927 0.382784 0.429845 H\n0.745554 0.448774 0.190196 H\n0.248627 0.079362 0.580620 H\n0.751371 0.920638 0.419379 H\n0.751370 0.579362 0.919379 H\n0.248628 0.420638 0.080620 H\n0.254445 0.551226 0.809804 H\n0.548273 0.032193 0.254345 H\n0.548272 0.467807 0.754345 H\n0.451726 0.532193 0.245655 H\n0.350927 0.117216 0.929845 H\n0.649071 0.882784 0.070154 H\n0.451726 0.967807 0.745655 H\n0.374315 0.756067 0.146127 C\n0.625684 0.243933 0.853872 C\n0.584626 0.374862 0.395352 C\n0.415372 0.625138 0.604648 C\n0.415373 0.874862 0.104648 C\n0.496563 0.551639 0.781279 C\n0.503435 0.448361 0.218720 C\n0.496564 0.948361 0.281279 C\n0.503434 0.051639 0.718720 C\n0.374314 0.743933 0.646127 C\n0.584626 0.125138 0.895352 C\n0.625684 0.256067 0.353872 C\n",
"nsites": 44,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.8822281397807851,
"density_atomic": 0.1325345294211025,
"volume": 331.9889555739744,
"volume_molar": 4.543827775526957,
"formula_full": "H32 C12",
"formula_reduced": "H8C3",
"formula_anonymous": "A3B8",
"energy_above_hull": 4.238830909090909,
"spacegroup": 14
},
{
"id": "jvasp-120582",
"created_at": "2022-09-04T14:38:46.664570Z",
"updated_at": "2022-09-04T14:38:46.664596Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.694348 -0.000004 0.073711\n-0.000002 4.635789 0.000006\n-0.064934 -0.000011 9.552991\nMn O F\n6 4 8\ndirect\n0.962726 0.972338 0.008454 Mn\n-0.000000 -0.000002 0.333334 Mn\n0.037273 0.027665 0.658213 Mn\n0.500001 0.500002 0.833335 Mn\n0.537273 0.472336 0.158213 Mn\n0.462727 0.527663 0.508454 Mn\n0.810568 0.167625 0.168755 O\n0.689435 0.667625 0.997912 O\n0.189436 0.832376 0.497912 O\n0.310569 0.332376 0.668755 O\n0.783405 0.236936 0.495234 F\n0.216594 0.763059 0.171426 F\n0.185509 0.797870 0.845578 F\n0.283404 0.263066 0.995234 F\n0.314495 0.297866 0.321089 F\n0.685508 0.702131 0.345578 F\n0.716596 0.736942 0.671426 F\n0.814496 0.202135 0.821089 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.357618662263255,
"density_atomic": 0.08657407186492343,
"volume": 207.9144438081227,
"volume_molar": 6.956055814720141,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9795499837931037,
"spacegroup": 14
},
{
"id": "jvasp-120586",
"created_at": "2022-09-04T14:38:46.811790Z",
"updated_at": "2022-09-04T14:38:46.811817Z",
"structure_string": "Li4 V4 F16\n1.0\n5.040574 0.000000 0.000000\n-0.000000 6.922504 1.832225\n-0.000000 -0.008033 7.956598\nLi V F\n4 4 16\ndirect\n0.794588 0.007443 0.136740 Li\n0.705410 0.507443 0.136739 Li\n0.294589 0.492557 0.863260 Li\n0.205411 -0.007443 0.863260 Li\n0.278205 0.768436 0.329487 V\n0.221794 0.268436 0.329487 V\n0.778205 0.731564 0.670512 V\n0.721794 0.231564 0.670513 V\n0.401413 0.261932 0.793848 F\n0.098587 0.761932 0.793848 F\n0.906779 0.473051 0.673582 F\n0.043002 0.167810 0.553042 F\n0.593219 0.973051 0.673581 F\n0.456998 0.667810 0.553041 F\n0.543002 0.332190 0.446958 F\n0.901412 0.238068 0.206152 F\n0.956997 0.832190 0.446958 F\n0.093220 0.526949 0.326418 F\n0.626083 0.618217 0.890321 F\n0.598587 0.738067 0.206151 F\n0.373916 0.381783 0.109679 F\n0.126084 0.881783 0.109679 F\n0.406780 0.026949 0.326418 F\n0.873916 0.118217 0.890321 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.202030911266838,
"density_atomic": 0.08642205305583295,
"volume": 277.7068948419312,
"volume_molar": 6.968291711502615,
"formula_full": "Li4 V4 F16",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3184542216666666,
"spacegroup": 14
},
{
"id": "jvasp-116899",
"created_at": "2022-09-04T14:38:46.826562Z",
"updated_at": "2022-09-04T14:38:46.826590Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n7.688973 0.000000 0.000000\n-0.000000 4.692435 2.539107\n-0.000000 0.062991 5.788025\nLi Fe B O\n4 2 4 12\ndirect\n0.435970 0.608195 0.199274 Li\n0.935970 0.391806 0.300726 Li\n0.064030 0.608195 0.699274 Li\n0.564030 0.391806 0.800725 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.258446 0.120674 0.131590 B\n0.758445 0.879327 0.368409 B\n0.241554 0.120674 0.631590 B\n0.741554 0.879327 0.868409 B\n0.265219 0.877251 0.604705 O\n0.765219 0.122750 0.895294 O\n0.081150 0.224597 0.653920 O\n0.395053 0.273151 0.586264 O\n0.604947 0.726850 0.413735 O\n0.104947 0.273151 0.086264 O\n0.234781 0.877251 0.104705 O\n0.734781 0.122750 0.395294 O\n0.418850 0.224597 0.153920 O\n0.581150 0.775404 0.846079 O\n0.918850 0.775404 0.346079 O\n0.895053 0.726850 0.913735 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.9970237516563216,
"density_atomic": 0.10597190424612674,
"volume": 207.60219566219692,
"volume_molar": 5.682771110740052,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9102110606060605,
"spacegroup": 14
},
{
"id": "jvasp-117020",
"created_at": "2022-09-04T14:38:47.125272Z",
"updated_at": "2022-09-04T14:38:47.125299Z",
"structure_string": "La4 Fe2 Co2 O12\n1.0\n5.449357 0.000000 0.000000\n-0.000000 4.519595 3.131402\n-0.000000 0.114217 9.469786\nLa Fe Co O\n4 2 2 12\ndirect\n0.978545 0.245592 0.750599 La\n0.478544 0.754410 0.749400 La\n0.021456 0.754410 0.249400 La\n0.521456 0.245591 0.250599 La\n0.000000 0.500001 -0.000000 Fe\n0.500000 0.500001 0.500000 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.771485 0.189767 0.032862 O\n0.271485 0.810235 0.467138 O\n0.777026 0.762387 0.466887 O\n0.277026 0.237614 0.033113 O\n0.228516 0.810235 0.967138 O\n0.004841 0.690820 0.746986 O\n0.995160 0.309181 0.253014 O\n0.495160 0.690820 0.246986 O\n0.722975 0.762387 0.966887 O\n0.504841 0.309182 0.753014 O\n0.728516 0.189767 0.532862 O\n0.222974 0.237614 0.533113 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-La-O",
"density": 7.015832793306397,
"density_atomic": 0.08647479226849383,
"volume": 231.28127255746858,
"volume_molar": 6.964041892465004,
"formula_full": "La4 Fe2 Co2 O12",
"formula_reduced": "La2FeCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.72815774,
"spacegroup": 14
},
{
"id": "jvasp-116920",
"created_at": "2022-09-04T14:38:47.176863Z",
"updated_at": "2022-09-04T14:38:47.176890Z",
"structure_string": "Ba6 P12\n1.0\n12.226817 0.000000 0.000000\n-0.000000 5.159178 3.843983\n0.000000 0.002049 7.775897\nBa P\n6 12\ndirect\n0.838886 0.227336 0.667182 Ba\n0.338886 0.772665 0.832818 Ba\n0.161114 0.772665 0.332818 Ba\n0.661115 0.227336 0.167181 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.203888 0.323427 0.846492 P\n0.703888 0.676574 0.653508 P\n0.625975 0.819132 0.034899 P\n0.125975 0.180869 0.465100 P\n0.374025 0.180869 0.965100 P\n0.393482 0.065249 0.303915 P\n0.893482 0.934752 0.196085 P\n0.296112 0.323427 0.346492 P\n0.106518 0.065249 0.803915 P\n0.606518 0.934752 0.696085 P\n0.874025 0.819132 0.534900 P\n0.796112 0.676574 0.153508 P\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"P"
],
"chemical_system": "Ba-P",
"density": 4.048489147351328,
"density_atomic": 0.036703996621927665,
"volume": 490.40980973844296,
"volume_molar": 16.407316135165125,
"formula_full": "Ba6 P12",
"formula_reduced": "BaP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.38235899,
"spacegroup": 14
},
{
"id": "jvasp-117277",
"created_at": "2022-09-04T14:38:47.207985Z",
"updated_at": "2022-09-04T14:38:47.208013Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n4.787865 -0.011703 -0.000027\n0.027185 5.715154 0.000013\n0.000033 0.000010 10.028113\nLi V Si O\n2 4 4 16\ndirect\n0.250000 0.250056 0.298208 Li\n0.750006 0.749952 0.798216 Li\n0.753031 0.490789 0.063957 V\n0.246971 0.509210 0.563957 V\n0.746959 0.009205 0.532483 V\n0.253043 0.990794 0.032484 V\n0.689169 0.508383 0.390550 Si\n0.310833 0.491618 0.890550 Si\n0.189160 0.008401 0.705885 Si\n0.810842 0.991600 0.205886 Si\n0.466360 0.279732 0.977996 O\n0.416056 0.501009 0.736593 O\n0.583941 0.498989 0.236594 O\n0.476325 0.712044 0.969074 O\n0.523678 0.287954 0.469075 O\n0.533642 0.720266 0.477995 O\n0.966373 0.779713 0.118439 O\n0.916025 0.000984 0.359845 O\n0.023676 0.787965 0.627359 O\n0.976325 0.212035 0.127360 O\n0.083974 -0.000984 0.859845 O\n0.975411 0.504266 0.905503 O\n0.475419 0.004255 0.190923 O\n0.524581 0.995745 0.690924 O\n0.033629 0.220285 0.618439 O\n0.024588 0.495735 0.405503 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.545994724171398,
"density_atomic": 0.09475000591051966,
"volume": 274.40631533631745,
"volume_molar": 6.3558209861086565,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.102776430769231,
"spacegroup": 14
}
]
}