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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4427",
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"results": [
{
"id": "jvasp-45174",
"created_at": "2022-09-04T14:38:03.269041Z",
"updated_at": "2022-09-04T14:38:03.269067Z",
"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.691495794984174,
"density_atomic": 0.11368737739441268,
"volume": 175.92102534492037,
"volume_molar": 5.29710588635319,
"formula_full": "Li5 Fe2 Cu3 O10",
"formula_reduced": "Li5Fe2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0211498675,
"spacegroup": 2
},
{
"id": "jvasp-40663",
"created_at": "2022-09-04T14:37:56.984277Z",
"updated_at": "2022-09-04T14:37:56.984307Z",
"structure_string": "Li5 Mn2 Co3 O10\n1.0\n4.994936 -0.013288 0.037037\n0.828838 4.933557 0.011903\n2.438711 2.096201 6.894657\nLi Mn Co O\n5 2 3 10\ndirect\n0.499178 0.780330 0.408626 Li\n0.511944 0.588493 0.788049 Li\n0.000294 0.500832 0.499330 Li\n0.497873 0.215397 0.588707 Li\n0.498322 0.397354 0.213348 Li\n0.001513 0.900669 0.694533 Mn\n0.995010 0.104738 0.302349 Mn\n0.996461 0.306766 0.895853 Co\n0.013841 0.702620 0.105714 Co\n0.491039 0.986386 0.001062 Co\n0.223782 0.134792 0.454851 O\n0.226469 0.973632 0.843327 O\n0.772322 0.870197 0.542391 O\n0.767834 0.653275 0.930754 O\n0.247969 0.769188 0.254528 O\n0.224386 0.563677 0.666471 O\n0.765652 0.432751 0.343317 O\n0.764873 0.226779 0.762579 O\n0.227316 0.335443 0.052346 O\n0.770883 0.063476 0.141959 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.716621171007049,
"density_atomic": 0.11801267531664955,
"volume": 169.47332094909592,
"volume_molar": 5.102960969100561,
"formula_full": "Li5 Mn2 Co3 O10",
"formula_reduced": "Li5Mn2Co3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8139816091379317,
"spacegroup": 1
},
{
"id": "jvasp-26758",
"created_at": "2022-09-04T14:37:26.950827Z",
"updated_at": "2022-09-04T14:37:26.950862Z",
"structure_string": "Tb5 Se2 Cl3 O10\n1.0\n5.485318 -0.000000 0.000000\n-2.742658 6.080902 -0.032311\n0.000000 0.032447 9.784056\nTb Se Cl O\n5 2 3 10\ndirect\n0.210934 0.421868 0.105083 Tb\n0.900796 0.801590 0.236521 Tb\n0.099204 0.198410 0.763479 Tb\n0.500000 0.000000 -0.000000 Tb\n0.789066 0.578132 0.894918 Tb\n0.410097 0.820195 0.678196 Se\n0.589903 0.179805 0.321805 Se\n0.335386 0.670772 0.352929 Cl\n0.000000 0.000000 0.500000 Cl\n0.664614 0.329228 0.647071 Cl\n0.273989 0.547978 0.704299 O\n0.899424 0.289319 0.939464 O\n0.318631 0.114006 0.205347 O\n0.795375 0.114006 0.205347 O\n0.610106 0.710682 0.060536 O\n0.204625 0.885994 0.794653 O\n0.100577 0.710682 0.060536 O\n0.681369 0.885994 0.794653 O\n0.726011 0.452022 0.295702 O\n0.389894 0.289319 0.939464 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Tb",
"density": 6.2018418678769525,
"density_atomic": 0.061282094302707237,
"volume": 326.3596035280483,
"volume_molar": 9.826917354118496,
"formula_full": "Tb5 Se2 Cl3 O10",
"formula_reduced": "Tb5Se2Cl3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0321067967916666,
"spacegroup": 12
},
{
"id": "jvasp-44628",
"created_at": "2022-09-04T14:37:28.697959Z",
"updated_at": "2022-09-04T14:37:28.697986Z",
"structure_string": "Li5 Nb2 Fe3 O10\n1.0\n5.224726 0.026389 0.013028\n0.897134 5.142089 0.015049\n2.471679 2.181556 7.093406\nLi Nb Fe O\n5 2 3 10\ndirect\n0.502674 0.772428 0.405564 Li\n0.525131 0.575418 0.788076 Li\n-0.000001 0.500000 0.500000 Li\n0.474869 0.424583 0.211925 Li\n0.497325 0.227573 0.594437 Li\n0.010002 0.888804 0.711710 Nb\n0.989997 0.111197 0.288291 Nb\n0.997265 0.300490 0.918803 Fe\n0.002734 0.699511 0.081198 Fe\n0.500000 0.000000 0.000000 Fe\n0.263997 0.354177 0.057376 O\n0.259422 0.965990 0.842359 O\n0.736003 0.645824 0.942625 O\n0.776778 0.860319 0.545201 O\n0.236811 0.765827 0.248906 O\n0.245914 0.565789 0.657403 O\n0.754086 0.434212 0.342598 O\n0.763189 0.234174 0.751095 O\n0.223221 0.139682 0.454800 O\n0.740578 0.034011 0.157642 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.787411477343779,
"density_atomic": 0.10521170055842306,
"volume": 190.0929259183886,
"volume_molar": 5.723831786803942,
"formula_full": "Li5 Nb2 Fe3 O10",
"formula_reduced": "Li5Nb2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.985218515,
"spacegroup": 2
},
{
"id": "jvasp-50096",
"created_at": "2022-09-04T14:37:17.819009Z",
"updated_at": "2022-09-04T14:37:17.819023Z",
"structure_string": "Li5 Nb2 Cu3 O10\n1.0\n5.237498 -0.000544 -0.004180\n-1.595854 5.516010 0.020624\n-2.073566 -2.076833 7.097159\nLi Nb Cu O\n5 2 3 10\ndirect\n0.228177 0.860143 0.370077 Li\n0.406575 0.339948 0.808343 Li\n0.500000 0.500001 0.500000 Li\n0.593425 0.660053 0.191656 Li\n0.771824 0.139858 0.629922 Li\n0.109015 0.728611 0.699901 Nb\n0.890986 0.271390 0.300099 Nb\n0.701240 0.876982 0.901163 Cu\n0.298761 0.123020 0.098837 Cu\n0.000000 0.500000 -0.000000 Cu\n0.664438 0.350103 0.067079 O\n0.072843 0.038524 0.824064 O\n0.335563 0.649898 0.932921 O\n0.139999 0.344954 0.555682 O\n0.221518 0.520639 0.249692 O\n0.456600 0.871838 0.648866 O\n0.543401 0.128164 0.351134 O\n0.778483 0.479362 0.750307 O\n0.860001 0.655047 0.444318 O\n0.927157 0.961477 0.175935 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Nb-O",
"density": 4.62204548847704,
"density_atomic": 0.09746868681289735,
"volume": 205.1941054504239,
"volume_molar": 6.17853893072368,
"formula_full": "Li5 Nb2 Cu3 O10",
"formula_reduced": "Li5Nb2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.2584322575,
"spacegroup": 2
},
{
"id": "jvasp-119424",
"created_at": "2022-09-04T14:38:33.152830Z",
"updated_at": "2022-09-04T14:38:33.152857Z",
"structure_string": "Li5 Ti2 Fe3 O10\n1.0\n4.823547 -0.009402 1.617873\n0.330038 4.704429 1.687098\n0.019949 0.073185 7.630693\nLi Ti Fe O\n5 2 3 10\ndirect\n0.502553 0.783685 0.409874 Li\n0.517458 0.585695 0.789040 Li\n0.998007 0.501480 0.501450 Li\n0.493433 0.219349 0.592938 Li\n0.478646 0.417179 0.213791 Li\n0.005916 0.876117 0.705011 Ti\n0.990096 0.127007 0.297674 Ti\n0.997327 0.696961 0.101094 Fe\n-0.001255 0.306039 0.901851 Fe\n0.497845 0.001354 0.001426 Fe\n0.228104 0.134613 0.451823 O\n0.224523 0.961676 0.858294 O\n0.767889 0.868424 0.551053 O\n0.757932 0.637150 0.956356 O\n0.227263 0.765537 0.242682 O\n0.241753 0.553222 0.661261 O\n0.754272 0.449804 0.341636 O\n0.768762 0.237373 0.760333 O\n0.238232 0.365921 0.046517 O\n0.771420 0.041332 0.144556 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.409285094150263,
"density_atomic": 0.1159615322342129,
"volume": 172.47098770310373,
"volume_molar": 5.193222824821598,
"formula_full": "Li5 Ti2 Fe3 O10",
"formula_reduced": "Li5Ti2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.7651009083333333,
"spacegroup": 2
},
{
"id": "jvasp-112821",
"created_at": "2022-09-04T14:38:44.035837Z",
"updated_at": "2022-09-04T14:38:44.035861Z",
"structure_string": "Li5 Mn3 Ni2 O10\n1.0\n4.856383 0.006340 -1.130632\n-1.184420 4.658656 -1.494151\n-0.036924 0.018024 7.735273\nLi Mn Ni O\n5 3 2 10\ndirect\n0.199941 0.924963 0.423195 Li\n0.388773 0.285468 0.774724 Li\n0.499999 0.500002 0.499999 Li\n0.611230 0.714532 0.225278 Li\n0.800055 0.075043 0.576805 Li\n0.000002 0.499998 -0.000001 Mn\n0.689100 0.897839 0.891478 Mn\n0.310900 0.102162 0.108524 Mn\n0.900637 0.309024 0.313939 Ni\n0.099362 0.690977 0.686060 Ni\n0.638993 0.267021 0.040985 O\n0.042351 0.115184 0.871628 O\n0.361010 0.732974 0.959015 O\n0.143969 0.307613 0.550868 O\n0.232445 0.461281 0.222641 O\n0.465955 0.900566 0.669904 O\n0.534049 0.099436 0.330096 O\n0.767554 0.538714 0.777358 O\n0.856027 0.692392 0.449129 O\n0.957651 0.884811 0.128373 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.524601288740869,
"density_atomic": 0.11427045320562339,
"volume": 175.0233716498096,
"volume_molar": 5.270076901824735,
"formula_full": "Li5 Mn3 Ni2 O10",
"formula_reduced": "Li5Mn3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.5871260762068964,
"spacegroup": 2
},
{
"id": "jvasp-50508",
"created_at": "2022-09-04T14:35:47.551099Z",
"updated_at": "2022-09-04T14:35:47.551116Z",
"structure_string": "Li5 Cu3 Sb2 O10\n1.0\n5.252020 -0.034337 -0.032592\n-1.372294 5.372989 0.074719\n-1.983997 -2.309407 7.226307\nLi Cu Sb O\n5 3 2 10\ndirect\n0.226910 0.884495 0.377196 Li\n0.411524 0.303584 0.806438 Li\n0.500000 0.500000 0.500000 Li\n0.588476 0.696415 0.193563 Li\n0.773091 0.115504 0.622805 Li\n0.000000 0.500000 0.000000 Cu\n0.711435 0.886210 0.901240 Cu\n0.288566 0.113789 0.098760 Cu\n0.889552 0.303212 0.300780 Sb\n0.110448 0.696787 0.699221 Sb\n0.648765 0.337706 0.069716 O\n0.061548 0.028359 0.824505 O\n0.351236 0.662293 0.930285 O\n0.142149 0.342359 0.555493 O\n0.214611 0.524193 0.249990 O\n0.450823 0.884587 0.655935 O\n0.549178 0.115412 0.344065 O\n0.785389 0.475807 0.750011 O\n0.857851 0.657641 0.444508 O\n0.938453 0.971640 0.175495 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Li-O-Sb",
"density": 5.117837468634997,
"density_atomic": 0.0980201783030892,
"volume": 204.03962068052758,
"volume_molar": 6.14377658177572,
"formula_full": "Li5 Cu3 Sb2 O10",
"formula_reduced": "Li5Cu3(SbO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 1.7876869275,
"spacegroup": 2
},
{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.594132848991291,
"density_atomic": 0.11590993432877679,
"volume": 172.54776405334076,
"volume_molar": 5.1955346147624315,
"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8710184262068963,
"spacegroup": 2
},
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
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"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.35763527740829,
"density_atomic": 0.11474559052561961,
"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.994666104137931,
"spacegroup": 2
},
{
"id": "jvasp-44714",
"created_at": "2022-09-04T14:38:04.714661Z",
"updated_at": "2022-09-04T14:38:04.714687Z",
"structure_string": "Li5 Fe3 Ni2 O10\n1.0\n4.993068 0.013853 0.086265\n0.762489 5.023766 0.086759\n2.483239 2.249496 6.948832\nLi Fe Ni O\n5 3 2 10\ndirect\n0.499052 0.804256 0.417024 Li\n0.508880 0.608333 0.783549 Li\n-0.000000 0.500001 0.500000 Li\n0.491121 0.391668 0.216450 Li\n0.500948 0.195745 0.582975 Li\n0.500000 -0.000000 -0.000000 Fe\n0.008263 0.301659 0.894075 Fe\n0.991738 0.698343 0.105924 Fe\n-0.005116 0.104766 0.307532 Ni\n0.005116 0.895235 0.692468 Ni\n0.251922 0.318358 0.042556 O\n0.230652 0.924150 0.857818 O\n0.748079 0.681644 0.957444 O\n0.762186 0.864996 0.548315 O\n0.240002 0.763960 0.227648 O\n0.223917 0.537986 0.669844 O\n0.776084 0.462015 0.330156 O\n0.759999 0.236041 0.772351 O\n0.237814 0.135006 0.451684 O\n0.769348 0.075851 0.142181 O\n",
"nsites": 20,
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"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.621495930520372,
"density_atomic": 0.11605542972689575,
"volume": 172.33144581916116,
"volume_molar": 5.18902112048651,
"formula_full": "Li5 Fe3 Ni2 O10",
"formula_reduced": "Li5Fe3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.445424315,
"spacegroup": 2
},
{
"id": "jvasp-47004",
"created_at": "2022-09-04T14:38:09.433986Z",
"updated_at": "2022-09-04T14:38:09.434009Z",
"structure_string": "Li5 Cr2 Fe3 O10\n1.0\n5.074119 0.041040 0.069348\n0.910919 4.936332 0.019342\n2.608726 2.080096 7.065844\nLi Cr Fe O\n5 2 3 10\ndirect\n0.503442 0.785872 0.408565 Li\n0.506858 0.607410 0.779506 Li\n0.999017 0.499267 0.500173 Li\n0.491239 0.391149 0.220808 Li\n0.494620 0.212668 0.591742 Li\n0.001893 0.901633 0.690210 Cr\n0.996184 0.096920 0.310123 Cr\n0.003182 0.689377 0.102274 Fe\n0.499023 0.999284 0.000156 Fe\n-0.005080 0.309173 0.898054 Fe\n0.223687 0.133881 0.455574 O\n0.226224 0.943335 0.846405 O\n0.774395 0.864671 0.544755 O\n0.743489 0.668182 0.941524 O\n0.254086 0.773800 0.236379 O\n0.227555 0.553957 0.663018 O\n0.770518 0.444589 0.337314 O\n0.743999 0.224761 0.763950 O\n0.254598 0.330385 0.058809 O\n0.771880 0.055220 0.153910 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.4049425671886295,
"density_atomic": 0.11379533877972929,
"volume": 175.75412327488638,
"volume_molar": 5.29208034755879,
"formula_full": "Li5 Cr2 Fe3 O10",
"formula_reduced": "Li5Cr2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.904575815,
"spacegroup": 2
}
]
}