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=-id&page=3645",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3643",
"results": [
{
"id": "jvasp-117419",
"created_at": "2022-09-04T14:38:27.363904Z",
"updated_at": "2022-09-04T14:38:27.363922Z",
"structure_string": "Li2 Cr4 P4 O16\n1.0\n8.007624 0.000000 0.000000\n-0.000000 4.144721 2.480638\n-0.000000 0.217188 10.345343\nLi Cr P O\n2 4 4 16\ndirect\n0.827756 0.918021 0.128327 Li\n0.172243 0.918021 0.628327 Li\n0.442341 0.008116 0.980544 Cr\n0.557658 0.008116 0.480544 Cr\n0.889778 0.525904 0.517361 Cr\n0.110221 0.525904 0.017361 Cr\n0.072202 0.159032 0.832164 P\n0.927797 0.159032 0.332164 P\n0.462033 0.218549 0.168157 P\n0.537967 0.218549 0.668156 P\n0.758747 0.950253 0.385231 O\n0.033725 0.197415 0.677294 O\n0.912106 0.487542 0.318948 O\n0.087894 0.487542 0.818947 O\n0.966275 0.197415 0.177294 O\n0.954260 0.909907 0.961870 O\n0.692598 0.222146 0.571005 O\n0.428591 -0.043452 0.336143 O\n0.571409 -0.043452 0.836143 O\n0.483754 0.551186 0.152424 O\n0.516245 0.551186 0.652424 O\n0.045739 0.909907 0.461870 O\n0.397256 0.132594 0.590031 O\n0.307401 0.222145 0.071005 O\n0.602744 0.132593 0.090031 O\n0.241252 0.950253 0.885231 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9472304851954254,
"density_atomic": 0.07668685345586691,
"volume": 339.04116322836137,
"volume_molar": 7.852898493828185,
"formula_full": "Li2 Cr4 P4 O16",
"formula_reduced": "LiCr2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.193140292307693,
"spacegroup": 7
},
{
"id": "jvasp-117418",
"created_at": "2022-09-04T14:38:26.549355Z",
"updated_at": "2022-09-04T14:38:26.549385Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n4.928550 -0.210895 -2.904454\n-1.647691 4.643355 -2.914670\n0.065844 0.210895 5.720325\nLi V Co O\n2 2 2 8\ndirect\n0.372226 0.122226 0.250000 Li\n0.627773 0.877773 0.750000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.499999 -0.000000 V\n-0.000000 0.499999 -0.000000 Co\n-0.000000 0.000000 0.500001 Co\n0.212083 0.738657 0.473426 O\n0.765230 0.738656 0.026574 O\n0.758930 0.735400 0.476470 O\n0.758931 0.282461 0.023530 O\n0.241068 0.717538 0.976471 O\n0.241069 0.264599 0.523530 O\n0.234769 0.261343 0.973427 O\n0.787916 0.261342 0.526574 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.485015314536497,
"density_atomic": 0.10456407799525932,
"volume": 133.88919281280064,
"volume_molar": 5.759282609724755,
"formula_full": "Li2 V2 Co2 O8",
"formula_reduced": "LiVCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6375455857142853,
"spacegroup": 74
},
{
"id": "jvasp-117417",
"created_at": "2022-09-04T14:38:26.534813Z",
"updated_at": "2022-09-04T14:38:26.534840Z",
"structure_string": "Mg3 Fe3 O8\n1.0\n5.082674 -0.007461 2.948195\n1.694643 4.791849 2.948195\n-0.010569 -0.007461 5.875824\nMg Fe O\n3 3 8\ndirect\n-0.000000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.000001 Mg\n0.500000 0.000000 0.000001 Mg\n0.368856 0.368857 0.368857 Fe\n0.631143 0.631144 0.631145 Fe\n0.000000 0.000000 0.000000 Fe\n0.230287 0.768018 0.768018 O\n0.757814 0.757816 0.757816 O\n0.768017 0.768018 0.230289 O\n0.768017 0.230288 0.768018 O\n0.231982 0.231982 0.769712 O\n0.231981 0.769713 0.231983 O\n0.769712 0.231982 0.231983 O\n0.242184 0.242185 0.242185 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.266319138809624,
"density_atomic": 0.09762462408472462,
"volume": 143.4064420862706,
"volume_molar": 6.168669858102212,
"formula_full": "Mg3 Fe3 O8",
"formula_reduced": "Mg3Fe3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.2361001178571427,
"spacegroup": 166
},
{
"id": "jvasp-117416",
"created_at": "2022-09-04T14:38:26.585344Z",
"updated_at": "2022-09-04T14:38:26.585368Z",
"structure_string": "Li3 Cr2 Cu1 O6\n1.0\n4.900541 -0.268441 14.700906\n1.712440 2.322026 9.276316\n0.277819 -0.124597 9.709870\nLi Cr Cu O\n3 2 1 6\ndirect\n0.166667 0.500000 0.500000 Li\n0.488193 0.509078 0.509078 Li\n0.845140 0.490922 0.490923 Li\n0.005551 0.994141 0.994141 Cr\n0.327783 0.005859 0.005859 Cr\n0.666666 0.000000 0.000000 Cu\n0.202148 0.286911 0.286911 O\n0.587409 0.254714 0.254714 O\n0.131185 0.713089 0.713089 O\n0.964310 0.223900 0.223900 O\n0.369023 0.776101 0.776101 O\n0.745923 0.745287 0.745287 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-O",
"density": 4.400381480734015,
"density_atomic": 0.1118298228027042,
"volume": 107.30590194326788,
"volume_molar": 5.385093715675972,
"formula_full": "Li3 Cr2 Cu1 O6",
"formula_reduced": "Li3Cr2CuO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4484138541666667,
"spacegroup": 12
},
{
"id": "jvasp-117415",
"created_at": "2022-09-04T14:38:26.526449Z",
"updated_at": "2022-09-04T14:38:26.526466Z",
"structure_string": "Li4 Fe3 Co5 O16\n1.0\n2.827528 -0.000000 0.000000\n0.000000 4.985780 0.362693\n-0.000000 0.073143 18.357775\nLi Fe Co O\n4 3 5 16\ndirect\n-0.000000 0.249795 0.746637 Li\n-0.000000 0.500000 -0.000000 Li\n-0.000000 0.750204 0.253363 Li\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.877098 0.875613 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.122902 0.124387 Fe\n0.500000 0.751905 0.750034 Co\n-0.000000 0.626736 0.624876 Co\n0.500000 0.500000 0.500000 Co\n-0.000000 0.373264 0.375123 Co\n0.500000 0.248094 0.249966 Co\n-0.000000 0.149793 0.942200 O\n-0.000000 0.897176 0.691737 O\n0.500000 0.971257 0.184456 O\n0.500000 0.028742 0.815543 O\n0.500000 0.776441 0.564703 O\n-0.000000 0.850206 0.057799 O\n-0.000000 0.644873 0.441577 O\n-0.000000 0.390700 0.190865 O\n0.500000 0.476239 0.685386 O\n0.500000 0.523761 0.314614 O\n-0.000000 0.609300 0.809134 O\n-0.000000 0.355126 0.558423 O\n-0.000000 0.102824 0.308263 O\n0.500000 0.279719 0.064375 O\n0.500000 0.720281 0.935625 O\n0.500000 0.223558 0.435297 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.78770928055323,
"density_atomic": 0.10822406876974154,
"volume": 258.72248491759296,
"volume_molar": 5.564511506966863,
"formula_full": "Li4 Fe3 Co5 O16",
"formula_reduced": "Li4Fe3Co5O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.06686775,
"spacegroup": 10
},
{
"id": "jvasp-117414",
"created_at": "2022-09-04T14:38:49.834036Z",
"updated_at": "2022-09-04T14:38:49.834066Z",
"structure_string": "Li2 Mn4 F18\n1.0\n4.723885 0.179720 -0.519484\n-1.261188 7.665857 -2.706513\n1.130878 0.213463 7.415320\nLi Mn F\n2 4 18\ndirect\n0.102659 0.178183 0.393792 Li\n-0.102659 0.821817 0.606209 Li\n0.586675 0.221409 0.771250 Mn\n0.331304 0.658265 0.813700 Mn\n0.668695 0.341734 0.186301 Mn\n0.413324 0.778591 0.228751 Mn\n0.796754 0.233346 0.575430 F\n0.524862 0.552846 0.185765 F\n0.712757 0.870192 0.367070 F\n-0.131779 0.335718 -0.045209 F\n0.059022 0.537013 0.673549 F\n0.609455 0.776552 0.000562 F\n0.817618 0.148978 0.178429 F\n0.182380 0.851022 0.821572 F\n0.131778 0.664283 0.045209 F\n0.940977 0.462987 0.326452 F\n0.713737 0.021811 0.759674 F\n0.287241 0.129808 0.632930 F\n0.475137 0.447154 0.814236 F\n0.203245 0.766654 0.424570 F\n0.286262 -0.021811 0.240327 F\n0.573704 0.667086 0.630444 F\n0.390543 0.223449 -0.000561 F\n0.426295 0.332914 0.369557 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4502054544378478,
"density_atomic": 0.08663277257987373,
"volume": 277.0314199268235,
"volume_molar": 6.951342523925001,
"formula_full": "Li2 Mn4 F18",
"formula_reduced": "LiMn2F9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.5875530854382183,
"spacegroup": 2
},
{
"id": "jvasp-117413",
"created_at": "2022-09-04T14:38:26.453387Z",
"updated_at": "2022-09-04T14:38:26.453407Z",
"structure_string": "Mn4 O2 F8\n1.0\n4.907713 0.102273 0.000000\n-4.046537 2.778784 0.000000\n-0.000000 -0.000000 12.041278\nMn O F\n4 2 8\ndirect\n0.928103 0.071894 0.195989 Mn\n0.742492 0.257505 0.907933 Mn\n0.257505 0.742492 0.407933 Mn\n0.071894 0.928103 0.695989 Mn\n0.667189 0.332808 0.763404 O\n0.332807 0.667190 0.263403 O\n0.820921 0.179076 0.051646 F\n0.882307 0.117691 0.446299 F\n0.546015 0.453983 0.145101 F\n0.629699 0.370298 0.366952 F\n0.370297 0.629700 0.866952 F\n0.453982 0.546015 0.645101 F\n0.179076 0.820921 0.551646 F\n0.117690 0.882307 0.946300 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.962406778436056,
"density_atomic": 0.08274431169392617,
"volume": 169.1959207031227,
"volume_molar": 7.278011789228594,
"formula_full": "Mn4 O2 F8",
"formula_reduced": "Mn2OF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.352477016108374,
"spacegroup": 36
},
{
"id": "jvasp-117412",
"created_at": "2022-09-04T14:38:27.327042Z",
"updated_at": "2022-09-04T14:38:27.327063Z",
"structure_string": "Li3 Fe7 O12\n1.0\n4.908449 0.037548 0.460280\n-2.606419 4.159431 0.460280\n-0.039777 -0.072519 9.558598\nLi Fe O\n3 7 12\ndirect\n0.676731 0.838797 0.243574 Li\n0.161202 0.323269 0.756426 Li\n0.078630 0.921370 0.000000 Li\n0.922943 0.077058 0.500000 Fe\n0.002357 0.516504 0.236228 Fe\n0.746534 0.253467 -0.000000 Fe\n0.483496 0.997643 0.763772 Fe\n0.582096 0.417904 0.500000 Fe\n0.425976 0.574024 -0.000000 Fe\n0.244348 0.755651 0.500000 Fe\n0.036057 0.224866 0.113945 O\n0.394821 0.864342 0.112120 O\n0.533345 0.715404 0.608156 O\n0.220281 0.050295 0.615262 O\n0.775133 0.963943 0.886055 O\n0.873071 0.362799 0.608020 O\n0.706513 0.534791 0.115828 O\n0.949705 0.779719 0.384739 O\n0.637202 0.126929 0.391980 O\n0.284595 0.466654 0.391844 O\n0.465208 0.293487 0.884172 O\n0.135657 0.605179 0.887880 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.104122721355614,
"density_atomic": 0.11200859735641809,
"volume": 196.41349431414338,
"volume_molar": 5.376498681469232,
"formula_full": "Li3 Fe7 O12",
"formula_reduced": "Li3Fe7O12",
"formula_anonymous": "A3B7C12",
"energy_above_hull": 3.107522295454545,
"spacegroup": 5
},
{
"id": "jvasp-117411",
"created_at": "2022-09-04T14:38:26.416869Z",
"updated_at": "2022-09-04T14:38:26.416884Z",
"structure_string": "Li5 Co5 O9 F1\n1.0\n4.679163 -0.062567 1.559449\n0.424863 4.696385 1.628216\n0.140525 0.069237 7.577585\nLi Co O F\n5 5 9 1\ndirect\n0.693116 0.494719 0.090509 Li\n0.111329 0.497697 0.306210 Li\n0.498644 0.499537 0.509475 Li\n0.898981 0.512062 0.695340 Li\n0.296732 0.510571 0.899171 Li\n0.601087 0.004701 0.799496 Co\n0.200145 0.005908 0.599865 Co\n0.002154 0.008119 0.995864 Co\n0.393405 0.006238 0.198315 Co\n0.799985 0.017249 0.397286 Co\n0.947876 0.784329 0.844240 O\n0.049661 0.215084 0.152428 O\n0.346225 0.780198 0.043733 O\n0.451018 0.217138 0.351347 O\n0.855569 0.233281 0.564854 O\n0.147469 0.786799 0.446133 O\n0.254106 0.222156 0.755074 O\n0.550680 0.789297 0.642514 O\n0.650016 0.216399 0.958053 O\n0.751781 0.698510 0.250111 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.9492426962349985,
"density_atomic": 0.12106911757188768,
"volume": 165.19489363688905,
"volume_molar": 4.9741345115728715,
"formula_full": "Li5 Co5 O9 F1",
"formula_reduced": "Li5Co5O9F",
"formula_anonymous": "AB5C5D9",
"energy_above_hull": 2.535612314125,
"spacegroup": 1
},
{
"id": "jvasp-117410",
"created_at": "2022-09-04T14:38:26.556313Z",
"updated_at": "2022-09-04T14:38:26.556339Z",
"structure_string": "Li6 Mn1 O6\n1.0\n4.870734 0.011044 -2.803043\n1.623674 4.308862 -2.795050\n-0.007655 -0.016971 5.619784\nLi Mn O\n6 1 6\ndirect\n0.283499 0.289602 0.495371 Li\n0.077688 0.710314 0.283452 Li\n0.495449 0.710241 0.922259 Li\n0.504551 0.289758 0.077739 Li\n0.922311 0.289684 0.716547 Li\n0.716501 0.710397 0.504628 Li\n0.000000 0.000000 0.000000 Mn\n0.095246 0.758059 0.651584 O\n0.201703 0.241919 0.095210 O\n0.651613 0.241881 0.798269 O\n0.348387 0.758118 0.201729 O\n0.798296 0.758080 0.904789 O\n0.904753 0.241940 0.348415 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7193400509947505,
"density_atomic": 0.1105466504513053,
"volume": 117.59741201499698,
"volume_molar": 5.447601293584823,
"formula_full": "Li6 Mn1 O6",
"formula_reduced": "Li6MnO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.013189095490716,
"spacegroup": 148
},
{
"id": "jvasp-117408",
"created_at": "2022-09-04T14:38:26.524843Z",
"updated_at": "2022-09-04T14:38:26.524872Z",
"structure_string": "Li1 Ni1 P2 O7\n1.0\n5.083834 -0.006608 0.780330\n-1.198307 4.940595 0.780330\n0.021517 0.027324 4.433638\nLi Ni P O\n1 1 2 7\ndirect\n0.492815 0.507184 0.000000 Li\n0.122085 0.877913 0.000000 Ni\n0.573957 0.010294 0.407283 P\n0.989705 0.426042 0.592718 P\n0.423942 0.819974 0.719268 O\n0.395940 0.110356 0.189018 O\n0.782513 0.873049 0.263324 O\n0.126950 0.217485 0.736677 O\n0.180024 0.576056 0.280733 O\n0.709908 0.290090 0.500000 O\n0.889643 0.604059 0.810983 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.580544195617182,
"density_atomic": 0.09900250686889872,
"volume": 111.10829763701277,
"volume_molar": 6.082816436127875,
"formula_full": "Li1 Ni1 P2 O7",
"formula_reduced": "LiNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.521967990909091,
"spacegroup": 5
},
{
"id": "jvasp-117407",
"created_at": "2022-09-04T14:38:26.496975Z",
"updated_at": "2022-09-04T14:38:26.496999Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.287070 -0.000000 0.000000\n0.000000 5.647264 0.000000\n-0.000000 -0.000000 7.587292\nTb Mn O\n4 4 12\ndirect\n0.518449 0.572173 0.250000 Tb\n0.981551 0.072173 0.250000 Tb\n0.481551 0.427827 0.750000 Tb\n0.018449 0.927826 0.750000 Tb\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.303098 0.693500 0.553326 O\n0.196902 0.193500 0.946673 O\n0.303098 0.693500 0.946673 O\n0.196902 0.193500 0.553326 O\n0.696902 0.306499 0.446674 O\n0.104784 0.467521 0.250000 O\n0.895216 0.532479 0.750000 O\n0.604784 0.032479 0.750000 O\n0.803098 0.806499 0.446674 O\n0.395216 0.967520 0.250000 O\n0.803098 0.806499 0.053326 O\n0.696902 0.306499 0.053326 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tb",
"density": 7.677873422741788,
"density_atomic": 0.08828563521350397,
"volume": 226.53741972443606,
"volume_molar": 6.821201144938771,
"formula_full": "Tb4 Mn4 O12",
"formula_reduced": "TbMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.171231228275862,
"spacegroup": 62
}
]
}