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=-nsites&page=192",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=190",
"results": [
{
"id": "jvasp-119112",
"created_at": "2022-09-04T14:38:51.135724Z",
"updated_at": "2022-09-04T14:38:51.135744Z",
"structure_string": "Ce4 Al18 Rh6\n1.0\n7.617279 -0.006283 0.000000\n-3.745064 6.633059 0.000000\n-0.000000 -0.000000 9.523514\nCe Al Rh\n4 18 6\ndirect\n0.996897 0.670960 0.250000 Ce\n0.003104 0.329041 0.750000 Ce\n0.670960 0.996897 0.250000 Ce\n0.329041 0.003104 0.750000 Ce\n0.451645 0.658727 0.750000 Al\n0.548356 0.341273 0.250000 Al\n0.658728 0.451645 0.750000 Al\n0.341273 0.548355 0.250000 Al\n0.870303 0.870303 0.750000 Al\n0.129698 0.129698 0.250000 Al\n0.334381 0.334381 0.947698 Al\n0.665620 0.665619 0.052301 Al\n0.665620 0.665619 0.447699 Al\n0.335515 0.002948 0.074762 Al\n0.664486 0.997053 0.925238 Al\n0.664486 0.997053 0.574761 Al\n0.002948 0.335515 0.425238 Al\n0.335515 0.002948 0.425238 Al\n0.997053 0.664486 0.574761 Al\n0.997053 0.664486 0.925238 Al\n0.002948 0.335515 0.074762 Al\n0.334381 0.334381 0.552301 Al\n0.000000 0.000000 0.000000 Rh\n0.671254 0.328747 -0.000000 Rh\n0.328747 0.671254 -0.000000 Rh\n0.328747 0.671254 0.500000 Rh\n0.671254 0.328747 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Rh"
],
"chemical_system": "Al-Ce-Rh",
"density": 5.7435465549053,
"density_atomic": 0.05821694137829708,
"volume": 480.9596543049963,
"volume_molar": 10.344309778948672,
"formula_full": "Ce4 Al18 Rh6",
"formula_reduced": "Ce2(Al3Rh)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.435276085714285,
"spacegroup": 63
},
{
"id": "jvasp-119308",
"created_at": "2022-09-04T14:38:48.969976Z",
"updated_at": "2022-09-04T14:38:48.970007Z",
"structure_string": "Rb4 Cr4 F20\n1.0\n5.540606 -0.000000 0.000000\n0.000000 7.796612 0.000000\n-0.000000 -0.000000 9.658230\nRb Cr F\n4 4 20\ndirect\n0.500000 0.877476 0.970335 Rb\n0.500000 0.122523 0.470335 Rb\n-0.000000 0.351395 0.153157 Rb\n-0.000000 0.648605 0.653157 Rb\n-0.000000 0.862698 0.229530 Cr\n0.500000 0.577519 0.344853 Cr\n0.500000 0.422481 0.844853 Cr\n-0.000000 0.137302 0.729530 Cr\n0.735378 0.471317 0.439945 F\n0.252798 0.685446 0.228456 F\n-0.000000 0.850455 0.414171 F\n0.264623 0.471317 0.439945 F\n0.252798 0.314554 0.728456 F\n-0.000000 0.149545 0.914171 F\n0.500000 0.403849 0.219530 F\n-0.000000 0.165260 0.544150 F\n0.766929 0.024790 0.222958 F\n0.766929 0.975209 0.722958 F\n0.233072 0.975209 0.722958 F\n0.500000 0.596151 0.719530 F\n0.500000 0.763640 0.453064 F\n0.500000 0.236360 0.953064 F\n0.747203 0.314554 0.728456 F\n0.233072 0.024790 0.222958 F\n0.747203 0.685446 0.228456 F\n0.264623 0.528683 0.939945 F\n-0.000000 0.834740 0.044150 F\n0.735378 0.528683 0.939945 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"F"
],
"chemical_system": "Cr-F-Rb",
"density": 3.700743276790222,
"density_atomic": 0.0671115544162328,
"volume": 417.21578711083197,
"volume_molar": 8.973329275984371,
"formula_full": "Rb4 Cr4 F20",
"formula_reduced": "RbCrF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.1902870028571429,
"spacegroup": 26
},
{
"id": "jvasp-116506",
"created_at": "2022-09-04T14:38:49.701316Z",
"updated_at": "2022-09-04T14:38:49.701341Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.185338 -0.012093 2.043935\n9.791844 2.803756 2.043935\n0.037342 0.005218 8.029426\nLi Mn Co O\n8 2 4 14\ndirect\n0.574885 0.574889 0.239354 Li\n0.709514 0.709518 0.629359 Li\n0.855994 0.855998 0.071000 Li\n0.005514 0.005515 0.499837 Li\n0.145509 0.145511 0.923175 Li\n0.282773 0.282775 0.363960 Li\n0.428034 0.428037 0.774507 Li\n0.139836 0.139837 0.435648 Li\n0.000690 0.000690 0.000001 Mn\n0.713753 0.713757 0.152386 Mn\n0.572156 0.572160 0.710925 Co\n0.856441 0.856446 0.569024 Co\n0.285638 0.285640 0.854860 Co\n0.428828 0.428831 0.285118 Co\n0.291860 0.291862 0.613647 O\n0.565071 0.565075 0.964928 O\n0.717331 0.717335 0.373548 O\n0.850708 0.850714 0.811834 O\n0.994668 0.994673 0.242224 O\n0.134307 0.134309 0.686308 O\n0.281261 0.281263 0.098230 O\n0.420719 0.420722 0.525998 O\n0.569704 0.569708 0.481383 O\n0.721353 0.721357 0.897005 O\n0.865134 0.865139 0.325153 O\n0.003441 0.003442 0.761335 O\n0.150936 0.150937 0.170842 O\n0.433896 0.433898 0.038433 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512680868479435,
"density_atomic": 0.12172345683141612,
"volume": 230.02961572788132,
"volume_molar": 4.9473954460071825,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5552181100985223,
"spacegroup": 8
},
{
"id": "jvasp-119628",
"created_at": "2022-09-04T14:38:49.711478Z",
"updated_at": "2022-09-04T14:38:49.711507Z",
"structure_string": "Ce2 Fe18 Si8\n1.0\n6.728167 0.000000 -3.764654\n-2.106461 6.389918 -3.764654\n0.034490 0.047685 7.956235\nCe Fe Si\n2 18 8\ndirect\n0.750000 0.750000 0.500001 Ce\n0.250000 0.250000 0.500000 Ce\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.948202 0.448201 0.644855 Fe\n0.696653 0.196653 0.644855 Fe\n0.196653 0.948202 0.644855 Fe\n0.448202 0.696653 0.644855 Fe\n0.303347 0.803347 0.355146 Fe\n0.803347 0.051798 0.355145 Fe\n0.051798 0.551798 0.355145 Fe\n0.066810 0.802140 0.000001 Fe\n0.551799 0.303347 0.355145 Fe\n0.697860 0.433190 0.000001 Fe\n0.197860 0.066810 0.000000 Fe\n0.802141 0.933190 0.000001 Fe\n0.302140 0.566810 0.000001 Fe\n0.566811 0.697860 0.000001 Fe\n0.933190 0.197860 0.000001 Fe\n0.433190 0.302140 0.000001 Fe\n0.205886 0.705886 0.751752 Si\n0.954134 0.794114 0.248249 Si\n0.294114 0.454133 0.248248 Si\n0.794114 0.294114 0.248248 Si\n0.454134 0.954134 0.248248 Si\n0.045867 0.205885 0.751752 Si\n0.705886 0.545866 0.751753 Si\n0.545867 0.045866 0.751752 Si\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Si"
],
"chemical_system": "Ce-Fe-Si",
"density": 7.279580775647322,
"density_atomic": 0.08128344809352729,
"volume": 344.47357557694056,
"volume_molar": 7.408815572231552,
"formula_full": "Ce2 Fe18 Si8",
"formula_reduced": "CeFe9Si4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.998711385714285,
"spacegroup": 140
},
{
"id": "jvasp-119447",
"created_at": "2022-09-04T14:38:49.732521Z",
"updated_at": "2022-09-04T14:38:49.732539Z",
"structure_string": "Ca4 Er8 S16\n1.0\n3.861004 -0.000000 0.000000\n0.000000 12.855952 0.000000\n-0.000000 -0.000000 13.024101\nCa Er S\n4 8 16\ndirect\n0.250000 0.368974 0.582911 Ca\n0.250000 0.868974 0.917089 Ca\n0.749999 0.631026 0.417089 Ca\n0.749999 0.131026 0.082911 Ca\n0.749999 0.353351 0.297660 Er\n0.749999 0.853351 0.202339 Er\n0.250000 0.146649 0.797660 Er\n0.250000 0.646649 0.702339 Er\n0.749999 0.892976 0.583696 Er\n0.250000 0.607024 0.083696 Er\n0.250000 0.107024 0.416304 Er\n0.749999 0.392976 0.916304 Er\n0.250000 0.470500 0.382373 S\n0.250000 0.534744 0.882031 S\n0.250000 0.034744 0.617969 S\n0.749999 0.029500 0.882372 S\n0.749999 0.529500 0.617627 S\n0.250000 0.970499 0.117627 S\n0.749999 0.242427 0.474789 S\n0.250000 0.717012 0.262962 S\n0.250000 0.757573 0.525211 S\n0.250000 0.257573 0.974789 S\n0.749999 0.282988 0.737038 S\n0.749999 0.782988 0.762962 S\n0.749999 0.965256 0.382031 S\n0.250000 0.217012 0.237038 S\n0.749999 0.742427 0.025211 S\n0.749999 0.465256 0.117969 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Er",
"S"
],
"chemical_system": "Ca-Er-S",
"density": 5.166548088108095,
"density_atomic": 0.043311755032163564,
"volume": 646.475765740895,
"volume_molar": 13.904171640073054,
"formula_full": "Ca4 Er8 S16",
"formula_reduced": "Ca(ErS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2813514885714286,
"spacegroup": 62
},
{
"id": "jvasp-122081",
"created_at": "2022-09-04T14:38:52.988724Z",
"updated_at": "2022-09-04T14:38:52.988748Z",
"structure_string": "Dy2 N6 O20\n1.0\n6.789827 -0.349636 2.141099\n2.225255 7.183190 2.895794\n0.108611 0.066967 6.650750\nDy N O\n2 6 20\ndirect\n0.476684 0.731162 0.592086 Dy\n0.523316 0.268838 0.407914 Dy\n0.066818 0.691383 0.778961 N\n0.933182 0.308617 0.221039 N\n0.468424 0.750627 0.145372 N\n0.531576 0.249373 0.854628 N\n0.845986 0.868168 0.315587 N\n0.154014 0.131832 0.684413 N\n0.575879 0.109789 0.789770 O\n0.470944 0.759057 -0.044175 O\n0.529056 0.240943 0.044175 O\n0.179119 0.281047 0.684764 O\n0.309671 0.046534 0.554623 O\n0.820881 0.718953 0.315236 O\n0.424121 0.890211 0.210229 O\n0.690329 0.953466 0.445377 O\n0.484678 0.406968 0.704585 O\n0.853030 0.291615 0.426553 O\n0.115931 0.313169 0.138724 O\n0.884069 0.686831 0.861275 O\n0.994509 0.930480 0.213873 O\n0.146969 0.708385 0.573447 O\n0.818517 0.316631 0.102307 O\n0.181483 0.683369 0.897693 O\n0.215836 0.451051 0.308184 O\n0.784164 0.548948 0.691816 O\n0.515322 0.593032 0.295415 O\n0.005491 0.069520 0.786127 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"N",
"O"
],
"chemical_system": "Dy-N-O",
"density": 3.70467410112057,
"density_atomic": 0.08568693633639467,
"volume": 326.770931453028,
"volume_molar": 7.028073376737307,
"formula_full": "Dy2 N6 O20",
"formula_reduced": "DyN3O10",
"formula_anonymous": "AB3C10",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-122014",
"created_at": "2022-09-04T14:38:53.683805Z",
"updated_at": "2022-09-04T14:38:53.683834Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.818290 -0.101559 0.280331\n0.134111 5.686074 0.670894\n-0.006269 -0.127525 14.326188\nLi Mn Co O\n8 2 4 14\ndirect\n0.000059 0.503637 -0.000097 Li\n0.581613 0.782375 0.836888 Li\n0.146499 0.063418 0.707133 Li\n0.425703 0.219451 0.148574 Li\n0.854526 0.927145 0.290961 Li\n0.283488 0.638816 0.432933 Li\n0.709583 0.363982 0.580490 Li\n0.145529 0.580795 0.708722 Li\n-0.001143 -0.000209 0.002422 Mn\n0.574984 0.292670 0.850352 Mn\n0.856589 0.429400 0.286823 Co\n0.427616 0.715902 0.144886 Co\n0.713387 0.849690 0.572943 Co\n0.285509 0.141962 0.428860 Co\n0.789562 0.371606 0.421217 O\n0.496350 0.766513 0.006991 O\n0.066644 0.047808 0.866436 O\n0.636840 0.311655 0.726492 O\n0.924941 0.488665 0.149741 O\n0.354068 0.199672 0.291381 O\n0.782933 0.913365 0.433518 O\n0.215073 0.628199 0.569067 O\n0.500643 0.231454 0.999314 O\n0.070585 0.510883 0.859573 O\n0.648469 0.824472 0.702946 O\n0.930827 0.950456 0.138949 O\n0.360327 0.660316 0.279795 O\n0.218789 0.085880 0.562689 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512886917833775,
"density_atomic": 0.12172901473378486,
"volume": 230.0191130375496,
"volume_molar": 4.947169557865982,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.556065252955665,
"spacegroup": 8
},
{
"id": "jvasp-119588",
"created_at": "2022-09-04T14:38:51.754848Z",
"updated_at": "2022-09-04T14:38:51.754871Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.812718 0.101589 -0.278694\n-0.133046 5.675239 0.686121\n0.007166 -0.103930 14.368233\nLi Mn Co O\n8 2 4 14\ndirect\n0.998594 0.495028 0.997142 Li\n0.575117 0.213727 0.150027 Li\n0.153546 0.940293 0.306943 Li\n0.424509 0.783142 0.849061 Li\n0.854246 0.075529 0.708496 Li\n0.277971 0.351143 0.556342 Li\n0.715377 0.641596 0.430859 Li\n0.715354 0.146286 0.430765 Li\n-0.000915 -0.002645 0.998123 Mn\n0.572574 0.713811 0.144950 Mn\n0.856629 0.570083 0.713349 Co\n0.428119 0.284563 0.856198 Co\n0.144923 0.424727 0.289622 Co\n0.284153 0.862645 0.568615 Co\n0.790135 0.625802 0.580015 O\n0.497427 0.231718 0.995260 O\n0.067683 0.951887 0.135653 O\n0.638365 0.668633 0.277042 O\n0.925305 0.512816 0.851070 O\n0.353932 0.799184 0.708448 O\n0.786170 0.083556 0.573129 O\n0.208759 0.400902 0.417470 O\n0.502039 0.760508 0.003553 O\n0.072931 0.483272 0.145204 O\n0.643337 0.206027 0.285953 O\n0.931668 0.048348 0.862793 O\n0.361489 0.339747 0.722624 O\n0.220568 0.887675 0.441295 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.51796346018511,
"density_atomic": 0.12186594759071959,
"volume": 229.76065548709747,
"volume_molar": 4.9416107444755974,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5583631100985222,
"spacegroup": 8
},
{
"id": "jvasp-119109",
"created_at": "2022-09-04T14:38:51.490965Z",
"updated_at": "2022-09-04T14:38:51.490990Z",
"structure_string": "Dy4 Mo4 O20\n1.0\n12.444645 0.000000 0.000000\n-0.000000 4.715951 2.417970\n-0.000000 0.025128 6.865394\nDy Mo O\n4 4 20\ndirect\n0.059475 0.657160 0.716779 Dy\n0.940526 0.342840 0.283221 Dy\n0.559475 0.342841 0.783220 Dy\n0.440525 0.657160 0.216779 Dy\n0.363729 0.913270 0.647817 Mo\n0.636272 0.086730 0.352183 Mo\n0.863729 0.086730 0.852183 Mo\n0.136271 0.913270 0.147817 Mo\n0.057372 0.707269 0.041615 O\n0.236134 0.768794 0.737728 O\n0.763867 0.231206 0.262272 O\n0.339563 0.232147 0.415259 O\n0.263866 0.768794 0.237728 O\n0.660437 0.767853 0.584740 O\n0.942628 0.292731 0.958384 O\n0.736134 0.231206 0.762271 O\n0.557372 0.292731 0.458384 O\n0.078195 0.018486 0.343633 O\n0.578196 0.981514 0.156367 O\n0.421805 0.018487 0.843632 O\n0.160437 0.232148 0.915259 O\n0.921805 0.981514 0.656367 O\n0.057488 0.456892 0.486831 O\n0.942513 0.543108 0.513168 O\n0.557488 0.543108 0.013169 O\n0.442512 0.456893 0.986831 O\n0.442628 0.707269 0.541615 O\n0.839563 0.767853 0.084741 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"O"
],
"chemical_system": "Dy-Mo-O",
"density": 5.589660491097884,
"density_atomic": 0.06962360971981334,
"volume": 402.1624289904035,
"volume_molar": 8.64956698487041,
"formula_full": "Dy4 Mo4 O20",
"formula_reduced": "DyMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.7902057,
"spacegroup": 14
},
{
"id": "jvasp-122512",
"created_at": "2022-09-04T14:38:54.439370Z",
"updated_at": "2022-09-04T14:38:54.439397Z",
"structure_string": "Ho4 Mo4 O16 F4\n1.0\n12.246132 0.000000 0.000000\n-0.000000 4.773756 2.046350\n-0.000000 -0.009299 6.646352\nHo Mo O F\n4 4 16 4\ndirect\n0.050722 0.361278 0.800264 Ho\n0.449278 0.361278 0.300264 Ho\n0.949278 0.638723 0.199736 Ho\n0.550722 0.638723 0.699736 Ho\n0.855782 0.923976 0.628468 Mo\n0.644218 0.923976 0.128468 Mo\n0.355782 0.076025 0.871531 Mo\n0.144218 0.076025 0.371531 Mo\n0.654900 0.241003 0.905009 O\n0.154900 0.758997 0.594990 O\n0.434630 0.307805 0.962408 O\n0.934629 0.692196 0.537591 O\n0.430624 0.003151 0.663180 O\n0.565370 0.692196 0.037591 O\n0.845099 0.241003 0.405010 O\n0.778395 0.810180 0.206095 O\n0.930624 0.996850 0.836819 O\n0.345100 0.758997 0.094990 O\n0.065370 0.307805 0.462409 O\n0.221605 0.189821 0.793904 O\n0.721605 0.810180 0.706095 O\n0.278395 0.189821 0.293904 O\n0.069376 0.003151 0.163180 O\n0.569376 0.996850 0.336820 O\n0.900193 0.452269 0.964430 F\n0.400193 0.547731 0.535569 F\n0.599807 0.452269 0.464430 F\n0.099807 0.547731 0.035569 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ho",
"Mo",
"O",
"F"
],
"chemical_system": "F-Ho-Mo-O",
"density": 5.874837391154901,
"density_atomic": 0.07202033678740477,
"volume": 388.779076146958,
"volume_molar": 8.361722575356213,
"formula_full": "Ho4 Mo4 O16 F4",
"formula_reduced": "HoMoO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.313597964166666,
"spacegroup": 14
},
{
"id": "jvasp-119057",
"created_at": "2022-09-04T14:38:50.207974Z",
"updated_at": "2022-09-04T14:38:50.208004Z",
"structure_string": "Mg2 Si2 H12 O12\n1.0\n5.164977 -0.000000 0.000000\n0.000000 5.115752 0.006663\n-0.000000 -0.001061 7.320674\nMg Si H O\n2 2 12 12\ndirect\n0.008020 0.752297 0.251245 Mg\n0.508020 0.247703 0.748754 Mg\n0.507691 0.252156 0.249337 Si\n0.007690 0.747844 0.750662 Si\n0.687660 0.591294 0.952096 H\n0.187660 0.408706 0.047903 H\n0.354413 0.929380 0.450097 H\n0.957505 0.227834 0.268950 H\n0.457505 0.772166 0.731049 H\n0.854414 0.070620 0.549902 H\n0.042689 0.299399 0.774465 H\n0.708413 0.035013 0.013195 H\n0.208412 0.964987 0.986804 H\n0.794988 0.539872 0.509801 H\n0.294987 0.460128 0.490198 H\n0.542690 0.700601 0.225534 H\n0.849866 0.052806 0.685640 O\n0.349866 0.947194 0.314359 O\n0.666861 0.560970 0.187029 O\n0.166861 0.439030 0.812970 O\n0.812839 0.111549 0.311198 O\n0.041963 0.870600 0.980290 O\n0.541964 0.129399 0.019708 O\n0.963984 0.628920 0.520413 O\n0.463984 0.371079 0.479586 O\n0.204111 0.399989 0.184393 O\n0.312838 0.888451 0.688801 O\n0.704111 0.600011 0.815606 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.651517561161086,
"density_atomic": 0.14475347795265844,
"volume": 193.43231261881934,
"volume_molar": 4.160273621867337,
"formula_full": "Mg2 Si2 H12 O12",
"formula_reduced": "MgSi(HO)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 2.718247760714285,
"spacegroup": 4
},
{
"id": "jvasp-120749",
"created_at": "2022-09-04T14:38:49.262802Z",
"updated_at": "2022-09-04T14:38:49.262834Z",
"structure_string": "Li8 V4 O8 F8\n1.0\n5.821688 -0.000247 -0.000059\n0.000247 5.914526 0.051551\n0.000085 -0.040706 8.265792\nLi V O F\n8 4 8 8\ndirect\n0.244952 0.258293 0.383741 Li\n0.244954 0.741708 0.116258 Li\n0.259730 0.500000 0.750001 Li\n0.507569 0.256617 0.993937 Li\n0.507574 0.743382 0.506066 Li\n0.745712 0.499999 0.250000 Li\n0.742668 0.249088 0.611900 Li\n0.742670 0.750911 0.888099 Li\n0.031577 0.242992 0.978450 V\n0.031582 0.757007 0.521548 V\n0.226001 0.000001 0.750000 V\n0.740430 -0.000001 0.249999 V\n0.779028 0.025737 0.032545 O\n0.779029 0.974262 0.467455 O\n0.219902 0.537513 0.497202 O\n0.219899 0.462488 0.002797 O\n0.004535 0.762951 0.740716 O\n0.246262 0.012137 0.982160 O\n0.004533 0.237048 0.759283 O\n0.246265 0.987863 0.517840 O\n0.985118 0.248513 0.244291 F\n0.478828 0.242239 0.749844 F\n0.478829 0.757762 0.750156 F\n0.516704 0.244704 0.255680 F\n0.516705 0.755294 0.244320 F\n0.756914 0.527920 0.493315 F\n0.756912 0.472079 0.006685 F\n0.985120 0.751487 0.255708 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.146216083583768,
"density_atomic": 0.09837529442552012,
"volume": 284.624306981859,
"volume_molar": 6.121598715579306,
"formula_full": "Li8 V4 O8 F8",
"formula_reduced": "Li2V(OF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.272558823571429,
"spacegroup": 3
}
]
}