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=volume_molar&page=77",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=75",
"results": [
{
"id": "jvasp-44653",
"created_at": "2022-09-04T14:38:10.277751Z",
"updated_at": "2022-09-04T14:38:10.277777Z",
"structure_string": "Li7 Ni5 O12\n1.0\n2.478023 -4.292988 -0.007934\n2.473344 4.289362 0.003968\n-0.804107 1.393055 9.371462\nLi Ni O\n7 5 12\ndirect\n0.997423 0.499909 0.007505 Li\n0.345121 0.173816 0.007819 Li\n0.154875 0.826136 0.492190 Li\n0.502487 0.499909 0.492496 Li\n0.828694 0.173815 0.492182 Li\n0.671260 0.826136 0.007810 Li\n0.749972 0.499944 0.250000 Li\n0.416624 0.833249 0.250000 Ni\n0.584622 0.169243 0.750000 Ni\n0.915461 0.830924 0.750000 Ni\n0.083317 0.166634 0.250000 Ni\n0.250044 0.500089 0.750000 Ni\n0.548117 0.829621 0.641120 O\n0.218774 0.170675 0.641109 O\n0.429869 0.142770 0.362561 O\n0.143507 0.499948 0.362633 O\n0.712899 0.142770 0.137440 O\n0.951899 0.170675 0.858891 O\n0.356441 0.499948 0.137367 O\n0.629649 0.499953 0.867597 O\n0.070066 0.857117 0.137429 O\n0.281502 0.829621 0.858881 O\n0.870303 0.499953 0.632403 O\n0.787050 0.857116 0.362572 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.454912949939475,
"density_atomic": 0.12056522177765804,
"volume": 199.06238006396174,
"volume_molar": 4.994923636524148,
"formula_full": "Li7 Ni5 O12",
"formula_reduced": "Li7Ni5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.0064235,
"spacegroup": 12
},
{
"id": "jvasp-7857",
"created_at": "2022-09-04T14:37:05.107726Z",
"updated_at": "2022-09-04T14:37:05.107748Z",
"structure_string": "Li2 Fe2 O4\n1.0\n3.707453 -0.000003 -1.558195\n-0.654886 3.649150 -1.558190\n-0.083797 -0.100169 4.990360\nLi Fe O\n2 2 4\ndirect\n0.874998 0.125002 0.749999 Li\n0.124998 0.874997 0.249997 Li\n0.625001 0.374999 0.250001 Fe\n0.374997 0.625002 0.749999 Fe\n0.135983 0.385981 0.271965 O\n0.385980 0.135984 0.771964 O\n0.864015 0.614020 0.728035 O\n0.614018 0.864017 0.228035 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.743817568064335,
"density_atomic": 0.12055914933414123,
"volume": 66.35746887884248,
"volume_molar": 4.99517522582136,
"formula_full": "Li2 Fe2 O4",
"formula_reduced": "LiFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8008481249999997,
"spacegroup": 141
},
{
"id": "jvasp-119586",
"created_at": "2022-09-04T14:38:49.335248Z",
"updated_at": "2022-09-04T14:38:49.335273Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.832761 -0.000000 0.000000\n0.000000 5.797553 0.058417\n-0.000000 0.010057 8.081365\nLi Mn Co O\n5 2 1 8\ndirect\n0.000000 -0.010200 0.494289 Li\n0.500000 0.268605 0.275360 Li\n-0.000000 0.499640 0.005002 Li\n0.500000 0.739577 0.721744 Li\n-0.000000 0.510953 0.495582 Li\n0.000000 -0.002806 0.004610 Mn\n0.500000 0.254344 0.738801 Mn\n0.500000 0.745719 0.254934 Co\n-0.000000 0.528154 0.247698 O\n0.500000 0.770964 0.005418 O\n-0.000000 0.017020 0.763408 O\n0.500000 0.245772 0.520750 O\n-0.000000 0.472408 0.755398 O\n0.500000 0.751012 0.483075 O\n-0.000000 0.983510 0.238152 O\n0.500000 0.225327 0.995777 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.147736108477112,
"density_atomic": 0.12055522665586835,
"volume": 132.71925609391369,
"volume_molar": 4.995337761000225,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.567128961422414,
"spacegroup": 6
},
{
"id": "jvasp-101732",
"created_at": "2022-09-04T14:36:44.364300Z",
"updated_at": "2022-09-04T14:36:44.364310Z",
"structure_string": "Cr1 B4 Mo1\n1.0\n4.194133 0.031536 -1.288439\n-0.732457 2.732077 -3.355495\n-0.037877 -0.032077 4.388351\nCr B Mo\n1 4 1\ndirect\n0.000001 -0.000004 0.000007 Cr\n0.079913 0.746378 0.333668 B\n0.587241 0.253684 0.333596 B\n0.920085 0.253626 0.666374 B\n0.412757 0.746317 0.666449 B\n0.499998 0.500004 0.000028 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"B",
"Mo"
],
"chemical_system": "B-Cr-Mo",
"density": 6.377927046308864,
"density_atomic": 0.12054217288250066,
"volume": 49.7751107062633,
"volume_molar": 4.995878716961676,
"formula_full": "Cr1 B4 Mo1",
"formula_reduced": "CrB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.26099893888889,
"spacegroup": 71
},
{
"id": "jvasp-116853",
"created_at": "2022-09-04T14:38:45.969075Z",
"updated_at": "2022-09-04T14:38:45.969093Z",
"structure_string": "Li5 Co7 O12\n1.0\n4.938340 -0.003710 0.438748\n-2.542965 4.233266 0.438748\n0.050090 0.088445 9.546659\nLi Co O\n5 7 12\ndirect\n0.838256 0.671957 0.759339 Li\n0.676231 0.834883 0.240801 Li\n0.328042 0.161744 0.240661 Li\n0.165117 0.323770 0.759199 Li\n0.085074 0.914928 0.000000 Li\n0.422609 0.577393 0.000000 Co\n0.578033 0.421967 0.500000 Co\n0.485025 0.998533 0.759293 Co\n0.245759 0.754242 0.500000 Co\n0.001467 0.514976 0.240708 Co\n0.912349 0.087650 0.500000 Co\n0.754025 0.245976 0.000000 Co\n0.211792 0.047917 0.609701 O\n0.046639 0.226699 0.116146 O\n0.773302 0.953361 0.883854 O\n0.862314 0.371805 0.610833 O\n0.628195 0.137685 0.389168 O\n0.701643 0.517163 0.116400 O\n0.482837 0.298357 0.883601 O\n0.538738 0.721031 0.608422 O\n0.278970 0.461262 0.391579 O\n0.392489 0.860980 0.117424 O\n0.139021 0.607512 0.882577 O\n0.952083 0.788208 0.390299 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 5.331261598426267,
"density_atomic": 0.12054102403706406,
"volume": 199.10234040006546,
"volume_molar": 4.995926331394287,
"formula_full": "Li5 Co7 O12",
"formula_reduced": "Li5Co7O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.8818932625,
"spacegroup": 5
},
{
"id": "jvasp-93868",
"created_at": "2022-09-04T14:36:20.773327Z",
"updated_at": "2022-09-04T14:36:20.773346Z",
"structure_string": "Ti2 H4\n1.0\n0.000000 0.000000 3.051797\n4.038960 -0.000000 0.000000\n-0.000000 4.038960 0.000000\nTi H\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.180614 0.819386 H\n0.500000 0.819386 0.180614 H\n0.000000 0.319386 0.319386 H\n0.000000 0.680614 0.680614 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.327636403436381,
"density_atomic": 0.12051927330490492,
"volume": 49.78456835547324,
"volume_molar": 4.996827971875026,
"formula_full": "Ti2 H4",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.553852777777778,
"spacegroup": 136
},
{
"id": "jvasp-95246",
"created_at": "2022-09-04T14:35:51.436469Z",
"updated_at": "2022-09-04T14:35:51.436493Z",
"structure_string": "H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.8274653658681372,
"density_atomic": 0.1205190596399378,
"volume": 531.036337249943,
"volume_molar": 4.996836830615606,
"formula_full": "H24 C12 N16 O12",
"formula_reduced": "H6C3N4O3",
"formula_anonymous": "A3B3C4D6",
"energy_above_hull": 4.75093646875,
"spacegroup": 15
},
{
"id": "jvasp-48740",
"created_at": "2022-09-04T14:36:15.680542Z",
"updated_at": "2022-09-04T14:36:15.680570Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n1.405072 -2.433656 -0.000000\n1.405072 2.433656 0.000000\n0.000000 0.000000 14.560112\nLi V O F\n4 2 4 2\ndirect\n0.333332 0.666666 0.159101 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666666 0.333332 0.840899 Li\n0.333332 0.666666 0.670146 V\n0.666666 0.333332 0.329854 V\n0.333332 0.666666 0.411899 O\n0.000000 -0.000000 0.247786 O\n0.000000 -0.000000 0.752214 O\n0.666666 0.333332 0.588100 O\n0.333332 0.666666 0.920271 F\n0.666666 0.333332 0.079729 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.8628941654759807,
"density_atomic": 0.1205115757586848,
"volume": 99.57549658158217,
"volume_molar": 4.997147138843223,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4802635804166675,
"spacegroup": 164
},
{
"id": "jvasp-111639",
"created_at": "2022-09-04T14:38:50.605522Z",
"updated_at": "2022-09-04T14:38:50.605557Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.837731 -0.121105 -0.023109\n-1.121985 7.318654 -1.914989\n0.066874 0.019263 8.037455\nLi Mn Co O\n6 2 2 10\ndirect\n0.587444 0.175395 0.764156 Li\n0.809643 0.618789 0.414183 Li\n0.000000 0.000000 0.000000 Li\n0.190353 0.381211 0.585816 Li\n0.412553 0.824605 0.235843 Li\n-0.000001 -0.000000 0.500000 Li\n0.801590 0.603177 0.898638 Mn\n0.198407 0.396823 0.101361 Mn\n0.597481 0.195009 0.301812 Co\n0.402516 0.804991 0.698187 Co\n0.601759 0.203721 0.533464 O\n0.209223 0.418144 0.862510 O\n0.398238 0.796279 0.466535 O\n0.608905 0.217588 0.056060 O\n0.809097 0.617805 0.668624 O\n0.011525 0.022816 0.251675 O\n-0.011528 0.977183 0.748324 O\n0.190900 0.382195 0.331375 O\n0.391092 0.782412 0.943939 O\n0.790773 0.581856 0.137489 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2961318434477285,
"density_atomic": 0.12050752836352935,
"volume": 165.96473491404578,
"volume_molar": 4.997314974242351,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.406831564137931,
"spacegroup": 12
},
{
"id": "jvasp-112116",
"created_at": "2022-09-04T14:38:43.064504Z",
"updated_at": "2022-09-04T14:38:43.064525Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1339501387616844,
"density_atomic": 0.1204980560043527,
"volume": 232.36889397608678,
"volume_molar": 4.997707813462538,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479605848214286,
"spacegroup": 1
},
{
"id": "jvasp-118995",
"created_at": "2022-09-04T14:38:31.990187Z",
"updated_at": "2022-09-04T14:38:31.990210Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.833755 -0.079083 0.042375\n0.133592 5.631183 1.307340\n-0.191595 -0.128884 12.441043\nLi Mn Co O\n7 4 1 12\ndirect\n0.000127 0.479354 0.017010 Li\n0.500040 0.328397 0.836746 Li\n0.500003 0.665831 0.166896 Li\n0.999909 0.848336 0.319731 Li\n0.499914 0.003446 0.496579 Li\n-0.000019 0.174936 0.662979 Li\n0.500005 0.165191 0.167759 Li\n0.000131 -0.001082 0.007223 Mn\n-0.000115 0.333487 0.327630 Mn\n0.500022 0.829597 0.832281 Mn\n0.000006 0.671182 0.666140 Mn\n0.499953 0.501951 0.499624 Co\n0.500350 0.225684 -0.001408 O\n0.000264 0.059040 0.836677 O\n-0.000026 0.412818 0.180397 O\n0.500144 0.562402 0.341940 O\n0.000166 0.727020 0.507852 O\n0.500250 0.903608 0.669901 O\n0.499855 0.767520 0.991424 O\n-0.000219 0.598224 0.827735 O\n0.000095 0.918582 0.153927 O\n0.499660 0.105754 0.335762 O\n-0.000278 0.278038 0.494330 O\n0.499780 0.440687 0.660868 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.328608008496825,
"density_atomic": 0.12048173296908432,
"volume": 199.20032197875517,
"volume_molar": 4.998384909972439,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786090911063218,
"spacegroup": 6
},
{
"id": "jvasp-11735",
"created_at": "2022-09-04T14:38:10.920889Z",
"updated_at": "2022-09-04T14:38:10.920916Z",
"structure_string": "Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8947180010720968,
"density_atomic": 0.1204668330588294,
"volume": 99.61248001049266,
"volume_molar": 4.999003133965609,
"formula_full": "Li4 Mn2 O6",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0130546235632187,
"spacegroup": 12
}
]
}