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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=58",
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"results": [
{
"id": "jvasp-116869",
"created_at": "2022-09-04T14:38:46.017553Z",
"updated_at": "2022-09-04T14:38:46.017580Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.817048 0.000142 2.476994\n-2.414046 5.568852 1.469493\n-0.011345 0.000543 5.417085\nLi Fe P O\n2 2 2 8\ndirect\n0.437095 0.249976 0.436971 Li\n0.187095 0.750021 0.186933 Li\n0.808247 0.249994 0.808198 Fe\n0.558253 0.750004 0.558195 Fe\n0.129492 0.250010 0.129512 P\n0.879488 0.749988 0.879526 P\n0.797735 0.090977 0.245908 O\n0.322551 0.103675 0.133980 O\n0.737769 0.603720 0.218889 O\n0.836728 0.590899 0.706931 O\n0.134052 0.396292 0.322587 O\n0.245822 0.409085 0.797819 O\n0.706788 0.909039 0.836874 O\n0.218886 0.896309 0.737666 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.6016757540417657,
"density_atomic": 0.09624184042295238,
"volume": 145.46687738383264,
"volume_molar": 6.257300082307863,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 43
},
{
"id": "jvasp-110323",
"created_at": "2022-09-04T14:37:55.941431Z",
"updated_at": "2022-09-04T14:37:55.941443Z",
"structure_string": "Li1 V1 B1 O4\n1.0\n3.994033 -0.035106 -2.695924\n-1.147165 3.825904 -2.695924\n0.026364 0.035106 4.818673\nLi V B O\n1 1 1 4\ndirect\n0.500000 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.500000 B\n0.159204 0.697122 0.122210 O\n0.963004 0.840794 0.537917 O\n0.574912 0.036995 0.877790 O\n0.302877 0.425086 0.462083 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.9695227204546204,
"density_atomic": 0.09433955007640345,
"volume": 74.20005707395106,
"volume_molar": 6.383474115705243,
"formula_full": "Li1 V1 B1 O4",
"formula_reduced": "LiVBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7731615404761905,
"spacegroup": 82
},
{
"id": "jvasp-110997",
"created_at": "2022-09-04T14:38:37.074081Z",
"updated_at": "2022-09-04T14:38:37.074105Z",
"structure_string": "Sr1 Nd1 Ga1 O4\n1.0\n3.697548 0.012152 -5.740620\n-0.309818 3.684565 -5.740620\n-0.011136 -0.012152 6.828356\nSr Nd Ga O\n1 1 1 4\ndirect\n0.643796 0.643796 0.000000 Sr\n0.359975 0.359975 0.000000 Nd\n0.006399 0.006399 0.000000 Ga\n0.992108 0.492109 0.500000 O\n0.492108 0.992110 0.500001 O\n0.834737 0.834737 0.000000 O\n0.170877 0.170877 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O-Sr",
"density": 6.5600246970006495,
"density_atomic": 0.07564302701946575,
"volume": 92.5399243766202,
"volume_molar": 7.961263578796601,
"formula_full": "Sr1 Nd1 Ga1 O4",
"formula_reduced": "SrNdGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2551977335714288,
"spacegroup": 107
},
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.069010363811319,
"density_atomic": 0.08248246807424792,
"volume": 339.466078716211,
"volume_molar": 7.301116104550937,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.548150963054187,
"spacegroup": 33
},
{
"id": "jvasp-45898",
"created_at": "2022-09-04T14:38:05.091431Z",
"updated_at": "2022-09-04T14:38:05.091457Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n2.889782 -2.839497 -4.505193\n3.033306 2.916084 4.460654\n2.723463 -2.999391 4.505193\nLi Ni Sn O\n2 2 2 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.499999 0.500000 Sn\n0.229434 0.007661 0.745779 O\n0.204360 0.441516 0.292171 O\n0.245779 0.492338 0.729434 O\n0.207830 0.941516 0.295641 O\n0.792170 0.058483 0.704360 O\n0.754221 0.507661 0.270566 O\n0.795641 0.558483 0.707830 O\n0.770566 0.992338 0.254222 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.22982159566143,
"density_atomic": 0.08877397003628619,
"volume": 157.70388543260515,
"volume_molar": 6.783678546243298,
"formula_full": "Li2 Ni2 Sn2 O8",
"formula_reduced": "LiNiSnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7060468714285717,
"spacegroup": 15
},
{
"id": "jvasp-119280",
"created_at": "2022-09-04T14:38:49.284315Z",
"updated_at": "2022-09-04T14:38:49.284343Z",
"structure_string": "Li4 Ti4 Co4 O16\n1.0\n5.757545 -0.038602 0.008178\n-0.061819 8.284699 -0.059830\n0.198215 -0.038605 5.754127\nLi Ti Co O\n4 4 4 16\ndirect\n0.501841 0.375000 0.248160 Li\n0.001852 0.875000 0.748148 Li\n0.498130 0.624997 0.751847 Li\n-0.001846 0.125003 0.251871 Li\n0.511387 0.011380 0.011365 Ti\n0.011369 0.511379 0.511367 Ti\n0.238631 0.238623 0.738630 Ti\n0.738634 0.738622 0.238613 Ti\n0.000063 0.499931 0.000074 Co\n0.749927 0.250070 0.749938 Co\n0.500071 -0.000069 0.500063 Co\n0.249938 0.750069 0.249929 Co\n0.727842 0.016113 0.738600 O\n0.227840 0.516112 0.238606 O\n0.271542 0.983263 0.260766 O\n0.771532 0.483265 0.760777 O\n0.489234 0.766737 0.478460 O\n-0.010777 0.266736 0.978470 O\n-0.007238 0.740530 0.479336 O\n0.002808 0.263903 0.516239 O\n0.270664 0.009471 0.757238 O\n0.770652 0.509469 0.257250 O\n0.733779 0.986097 0.247182 O\n0.233760 0.486098 0.747192 O\n0.011401 0.733887 0.022159 O\n0.502818 0.763904 0.016221 O\n0.492749 0.240533 0.979349 O\n0.511394 0.233888 0.522162 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.301907523415384,
"density_atomic": 0.10202997525680459,
"volume": 274.4291560350312,
"volume_molar": 5.9023250224677195,
"formula_full": "Li4 Ti4 Co4 O16",
"formula_reduced": "LiTiCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.508386176190476,
"spacegroup": 24
},
{
"id": "jvasp-117088",
"created_at": "2022-09-04T14:38:46.531452Z",
"updated_at": "2022-09-04T14:38:46.531474Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n6.045864 0.000039 0.000117\n-0.000181 6.761349 -3.412003\n-0.000034 0.043316 8.490025\nLi Mn P O\n4 4 4 16\ndirect\n0.766607 0.259315 0.518604 Li\n0.266597 0.259369 0.518609 Li\n0.266597 0.740636 0.481398 Li\n0.766607 0.740683 0.481393 Li\n0.016605 0.315102 0.199959 Mn\n0.016581 0.684899 0.800043 Mn\n0.516610 0.115143 0.799979 Mn\n0.516591 0.884858 0.200023 Mn\n0.016649 0.917691 0.253545 P\n0.516651 0.335820 0.253502 P\n0.516641 0.664180 0.746500 P\n0.016657 0.082310 0.746456 P\n0.016604 0.150807 0.346868 O\n0.516600 0.196035 0.346844 O\n0.228781 0.847192 0.312675 O\n0.728802 0.465428 0.312633 O\n0.728780 0.534565 0.687360 O\n0.228801 0.152806 0.687330 O\n0.804464 0.847140 0.312570 O\n0.516774 0.211137 0.054962 O\n0.304447 0.534624 0.687465 O\n0.804484 0.152861 0.687425 O\n0.016796 0.843880 0.055006 O\n0.516789 0.788866 0.945041 O\n0.016600 0.849194 0.653134 O\n0.016784 0.156124 0.944995 O\n0.304469 0.465384 0.312547 O\n0.516600 0.803966 0.653157 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.994176036845289,
"density_atomic": 0.08047122690751302,
"volume": 347.95045479026794,
"volume_molar": 7.483595058046465,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5492509630541877,
"spacegroup": 66
},
{
"id": "jvasp-116863",
"created_at": "2022-09-04T14:38:46.068910Z",
"updated_at": "2022-09-04T14:38:46.068938Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n4.323422 0.000013 -0.000004\n-0.000042 14.385734 0.000054\n0.000003 -0.000013 4.687462\nLi Co P O\n4 4 4 16\ndirect\n0.999998 0.249114 0.750001 Li\n0.000001 0.750885 0.249999 Li\n0.499999 0.250885 0.250000 Li\n0.500000 0.749114 0.750000 Li\n0.000001 0.054458 0.249998 Co\n-0.000000 0.945542 0.749999 Co\n0.499999 0.554458 0.249999 Co\n0.500000 0.445542 0.750000 Co\n0.500001 0.884697 0.249999 P\n0.499999 0.115303 0.750000 P\n0.000001 0.615303 0.749999 P\n-0.000001 0.384698 0.250000 P\n0.733181 0.947031 0.416746 O\n0.733179 0.052968 0.916746 O\n0.766818 0.447031 0.416747 O\n0.766819 0.552968 0.916746 O\n0.689681 0.826755 0.034309 O\n0.689678 0.173244 0.534311 O\n0.310320 0.826755 0.465690 O\n0.189680 0.673243 0.965690 O\n0.233180 0.552968 0.583253 O\n0.233180 0.447031 0.083253 O\n0.266819 0.947031 0.083252 O\n0.266819 0.052968 0.583254 O\n0.810319 0.326756 0.034310 O\n0.189679 0.326756 0.465691 O\n0.310319 0.173243 0.965691 O\n0.810321 0.673244 0.534310 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Co",
"P",
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],
"chemical_system": "Co-Li-O-P",
"density": 3.6645507778283264,
"density_atomic": 0.09604187220237134,
"volume": 291.539506237454,
"volume_molar": 6.270328370224451,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.425898628571429,
"spacegroup": 60
},
{
"id": "jvasp-47969",
"created_at": "2022-09-04T14:36:03.180843Z",
"updated_at": "2022-09-04T14:36:03.180870Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.401992 0.000000 0.000000\n0.000000 6.109038 0.000000\n0.000000 0.000000 8.177987\nLi Ni P O\n4 4 4 16\ndirect\n0.222954 0.249947 0.579044 Li\n0.722953 0.250053 0.079044 Li\n0.222954 0.749948 0.920956 Li\n0.722953 0.750053 0.420956 Li\n0.723013 -0.000008 0.750008 Ni\n0.223014 0.500008 0.250008 Ni\n0.723013 0.499993 0.749993 Ni\n0.223014 0.000008 0.249993 Ni\n0.223006 0.749972 0.600654 P\n0.723006 0.750029 0.100654 P\n0.223006 0.249971 0.899346 P\n0.723006 0.250029 0.399346 P\n0.453563 0.749990 0.720362 O\n0.223022 0.542426 0.496364 O\n0.723022 0.957575 0.996365 O\n0.953563 0.750010 0.220362 O\n0.492465 0.750022 0.220381 O\n0.722974 0.542505 -0.003659 O\n0.222975 0.457495 0.003659 O\n0.492465 0.250022 0.279619 O\n0.453563 0.249990 0.779638 O\n0.223022 0.042426 0.003636 O\n0.723022 0.457574 0.503636 O\n0.953563 0.250010 0.279638 O\n0.992465 0.749979 0.720381 O\n0.722974 0.042505 0.503659 O\n0.992465 0.249979 0.779620 O\n0.222975 0.957495 0.496341 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.9527289262880894,
"density_atomic": 0.10374922284494163,
"volume": 269.8815396607586,
"volume_molar": 5.804516501295041,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-45762",
"created_at": "2022-09-04T14:38:03.817760Z",
"updated_at": "2022-09-04T14:38:03.817787Z",
"structure_string": "Li4 V4 C4 O16\n1.0\n0.000000 3.100940 -0.011199\n9.305762 0.000000 0.000000\n0.000000 -0.209092 -9.197586\nLi V C O\n4 4 4 16\ndirect\n0.737760 0.186283 0.402436 Li\n0.737760 0.313717 0.902436 Li\n0.262240 0.686283 0.097565 Li\n0.262241 0.813717 0.597565 Li\n0.775437 0.562293 0.386893 V\n0.775438 0.937706 0.886893 V\n0.224563 0.062293 0.113107 V\n0.224563 0.437707 0.613108 V\n0.250900 0.129967 0.664785 C\n0.250900 0.370033 0.164785 C\n0.749101 0.629967 0.835216 C\n0.749101 0.870033 0.335215 C\n0.263953 0.006833 0.740722 O\n0.271989 0.616867 0.503645 O\n0.247266 0.126383 0.528955 O\n0.239679 0.249882 0.238411 O\n0.263953 0.493167 0.240722 O\n0.247265 0.373617 0.028955 O\n0.752735 0.626383 0.971046 O\n0.760321 0.749882 0.261589 O\n0.760322 0.750118 0.761590 O\n0.752735 0.873616 0.471046 O\n0.728012 0.383133 0.496356 O\n0.736048 0.993167 0.259279 O\n0.239679 0.250118 0.738411 O\n0.728012 0.116867 -0.003644 O\n0.736048 0.506833 0.759279 O\n0.271989 0.883133 0.003644 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 3.35046441095359,
"density_atomic": 0.10548803809353602,
"volume": 265.4329391847487,
"volume_molar": 5.70883757896813,
"formula_full": "Li4 V4 C4 O16",
"formula_reduced": "LiVCO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.091941171428572,
"spacegroup": 14
},
{
"id": "jvasp-112981",
"created_at": "2022-09-04T14:38:45.649547Z",
"updated_at": "2022-09-04T14:38:45.649576Z",
"structure_string": "Tb4 Mo4 Br4 O16\n1.0\n6.573063 -0.040206 -2.042257\n-0.991786 6.903335 -1.882414\n-0.019414 0.086997 10.922930\nTb Mo Br O\n4 4 4 16\ndirect\n0.646117 0.124813 0.732702 Tb\n0.353882 0.875188 0.267298 Tb\n0.389295 0.655682 0.766986 Tb\n0.610704 0.344318 0.233014 Tb\n0.732353 0.811620 0.132740 Mo\n0.267647 0.188381 0.867260 Mo\n0.776875 0.598946 0.627888 Mo\n0.223125 0.401055 0.372112 Mo\n0.814467 0.290705 0.022659 Br\n0.185533 0.709296 0.977341 Br\n0.743128 0.014865 0.481515 Br\n0.256872 0.985136 0.518485 Br\n0.328932 0.486550 0.548283 O\n0.671067 0.513451 0.451717 O\n0.275760 0.582235 0.299045 O\n0.724239 0.417766 0.700955 O\n0.956673 0.340394 0.330523 O\n0.043326 0.659606 0.669477 O\n0.600948 0.014457 0.176110 O\n0.329599 0.274319 0.041580 O\n0.377827 0.351993 0.797469 O\n0.622173 0.648007 0.202531 O\n-0.000099 0.130803 0.793496 O\n0.000099 0.869199 0.206505 O\n0.655906 0.796285 0.701531 O\n0.670401 0.725682 0.958420 O\n0.399051 0.985544 0.823890 O\n0.344093 0.203716 0.298469 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Tb",
"Mo",
"Br",
"O"
],
"chemical_system": "Br-Mo-O-Tb",
"density": 5.338113126322255,
"density_atomic": 0.05643097567498481,
"volume": 496.1813908954275,
"volume_molar": 10.67169349451731,
"formula_full": "Tb4 Mo4 Br4 O16",
"formula_reduced": "TbMoBrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.392757486428572,
"spacegroup": 2
},
{
"id": "jvasp-105477",
"created_at": "2022-09-04T14:36:56.557734Z",
"updated_at": "2022-09-04T14:36:56.557764Z",
"structure_string": "In1 Ga1 Cu1 O4\n1.0\n3.359633 0.023887 7.911246\n1.629520 2.938090 7.911246\n0.040235 0.023887 8.594959\nIn Ga Cu O\n1 1 1 4\ndirect\n-0.000045 -0.000045 -0.000045 In\n0.212012 0.212012 0.212012 Ga\n0.785430 0.785432 0.785430 Cu\n0.874468 0.874470 0.874468 O\n0.133266 0.133266 0.133266 O\n0.706087 0.706089 0.706087 O\n0.288781 0.288782 0.288781 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-In-O",
"density": 6.224901989676877,
"density_atomic": 0.08408317875471943,
"volume": 83.25089635847173,
"volume_molar": 7.1621230895269745,
"formula_full": "In1 Ga1 Cu1 O4",
"formula_reduced": "InGaCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.1400538207142858,
"spacegroup": 160
}
]
}