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=4441",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4439",
"results": [
{
"id": "jvasp-111945",
"created_at": "2022-09-04T14:38:50.005669Z",
"updated_at": "2022-09-04T14:38:50.005687Z",
"structure_string": "Li4 Ni3 Sb1 P4 O16\n1.0\n6.196045 0.000000 0.000000\n0.000000 4.746154 0.082235\n0.000000 0.061421 10.256820\nLi Ni Sb P O\n4 3 1 4 16\ndirect\n0.249143 0.002079 0.024101 Li\n0.750856 0.002079 0.024101 Li\n0.743776 0.488107 0.476598 Li\n0.256223 0.488107 0.476598 Li\n0.500000 0.973795 0.274188 Ni\n0.500000 0.541289 0.784489 Ni\n0.000000 0.462463 0.221752 Ni\n0.000000 0.023449 0.716432 Sb\n0.500000 0.091852 0.582361 P\n0.500000 0.422830 0.096296 P\n0.000000 0.577927 0.922810 P\n0.000000 0.907395 0.396669 P\n0.697710 0.237530 0.648384 O\n0.000000 0.231092 0.400970 O\n0.000000 0.256225 0.930991 O\n0.299392 0.285192 0.166736 O\n0.700608 0.285192 0.166736 O\n0.500000 0.308607 0.954909 O\n0.000000 0.715508 0.057653 O\n0.203386 0.778195 0.332541 O\n0.197354 0.704153 0.842454 O\n0.500000 0.747972 0.099384 O\n0.500000 0.770944 0.599116 O\n0.796613 0.778195 0.332541 O\n0.302289 0.237530 0.648384 O\n0.000000 0.773018 0.541040 O\n0.802645 0.704153 0.842454 O\n0.500000 0.205105 0.439317 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P-Sb",
"density": 3.8843261045720223,
"density_atomic": 0.09283975204291742,
"volume": 301.59494595651574,
"volume_molar": 6.4865972037668955,
"formula_full": "Li4 Ni3 Sb1 P4 O16",
"formula_reduced": "Li4Ni3Sb(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.5874018321428567,
"spacegroup": 6
},
{
"id": "jvasp-116862",
"created_at": "2022-09-04T14:38:49.924648Z",
"updated_at": "2022-09-04T14:38:49.924658Z",
"structure_string": "Li4 Co1 Cu3 P4 O16\n1.0\n6.006822 -0.000000 0.000000\n0.000000 4.711337 0.076051\n-0.000000 0.027930 10.012451\nLi Co Cu P O\n4 1 3 4 16\ndirect\n0.250102 0.004757 0.004038 Li\n0.749897 0.004757 0.004038 Li\n0.749337 0.493767 0.496320 Li\n0.250662 0.493767 0.496320 Li\n-0.000000 0.021522 0.718463 Co\n0.500000 0.972292 0.282892 Cu\n0.500000 0.548433 0.783848 Cu\n-0.000000 0.464891 0.218246 Cu\n0.500000 0.072826 0.596964 P\n0.500000 0.427186 0.093399 P\n-0.000000 0.582937 0.905289 P\n-0.000000 0.915516 0.405273 P\n0.709834 0.201988 0.666851 O\n-0.000000 0.242324 0.403042 O\n-0.000000 0.258368 0.902247 O\n0.294853 0.284461 0.163751 O\n0.705146 0.284461 0.163751 O\n0.500000 0.310433 0.947916 O\n-0.000000 0.703568 0.048723 O\n0.206176 0.780406 0.335676 O\n0.201157 0.729217 0.830942 O\n0.500000 0.752769 0.094678 O\n0.500000 0.745650 0.599586 O\n0.793824 0.780406 0.335676 O\n0.290166 0.201988 0.666851 O\n-0.000000 0.788542 0.551050 O\n0.798842 0.729217 0.830942 O\n0.500000 0.203563 0.453226 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-Li-O-P",
"density": 3.8516827894670698,
"density_atomic": 0.09882077395636021,
"volume": 283.34123361920797,
"volume_molar": 6.094002828453267,
"formula_full": "Li4 Co1 Cu3 P4 O16",
"formula_reduced": "Li4CoCu3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.4636353660714283,
"spacegroup": 6
},
{
"id": "jvasp-120596",
"created_at": "2022-09-04T14:38:53.582537Z",
"updated_at": "2022-09-04T14:38:53.582563Z",
"structure_string": "Li4 Nb2 Ni3 Sn3 O16\n1.0\n6.089798 -0.007593 0.087547\n3.016841 5.290026 0.087547\n0.020723 0.012020 9.760862\nLi Nb Ni Sn O\n4 2 3 3 16\ndirect\n0.676621 0.676623 0.897674 Li\n0.982477 0.982479 0.985562 Li\n0.991359 0.991362 0.499656 Li\n0.332831 0.332832 0.406835 Li\n0.674843 0.674844 0.500135 Nb\n0.351551 0.351552 0.977979 Nb\n0.829266 0.829268 0.214456 Ni\n0.661198 0.171255 0.712460 Ni\n0.171254 0.661199 0.712460 Ni\n0.170410 0.170411 0.715924 Sn\n0.832895 0.337717 0.214177 Sn\n0.337715 0.832896 0.214177 Sn\n0.161261 0.161262 0.091437 O\n0.663498 0.169718 0.092833 O\n0.336747 0.336748 0.608772 O\n0.039044 0.480855 0.851042 O\n0.480854 0.039045 0.851042 O\n0.828939 0.828941 0.594272 O\n0.516619 0.960163 0.345937 O\n0.512761 0.512763 0.342321 O\n0.335195 0.834370 0.587976 O\n0.996069 0.996071 0.802791 O\n0.994862 0.994864 0.313906 O\n0.668014 0.668015 0.100155 O\n0.489516 0.489517 0.847098 O\n0.834369 0.335196 0.587976 O\n0.960162 0.516621 0.345937 O\n0.169717 0.663499 0.092833 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Sn",
"density": 5.2866489487428625,
"density_atomic": 0.08898528467573433,
"volume": 314.65876748085975,
"volume_molar": 6.7675692469208855,
"formula_full": "Li4 Nb2 Ni3 Sn3 O16",
"formula_reduced": "Li4Nb2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.5298552535714287,
"spacegroup": 8
},
{
"id": "jvasp-117266",
"created_at": "2022-09-04T14:38:49.753019Z",
"updated_at": "2022-09-04T14:38:49.753034Z",
"structure_string": "Na4 Ni4 As4 O16\n1.0\n4.978145 0.000028 -0.000006\n-0.000096 8.841509 -2.874159\n0.000084 0.000051 8.622656\nNa Ni As O\n4 4 4 16\ndirect\n0.500001 0.139886 0.213265 Na\n0.000000 0.139886 0.713264 Na\n0.499998 0.860114 0.786736 Na\n-0.000002 0.860114 0.286735 Na\n0.499999 0.506797 0.335600 Ni\n0.000001 0.493203 0.164400 Ni\n-0.000001 0.506796 0.835600 Ni\n0.500000 0.493204 0.664401 Ni\n-0.000004 0.698929 0.566310 As\n0.499996 0.698928 0.066312 As\n0.000004 0.301072 0.433688 As\n0.500003 0.301071 0.933690 As\n0.825235 0.637646 0.711252 O\n0.325235 0.637645 0.211250 O\n0.174764 0.362355 0.288749 O\n0.674764 0.362354 0.788747 O\n0.160663 0.362366 0.624182 O\n0.660665 0.362366 0.124179 O\n0.335431 0.637640 0.550579 O\n0.000003 0.110572 0.370211 O\n0.664567 0.362360 0.449422 O\n0.164567 0.362360 0.949421 O\n0.999996 0.889429 0.629791 O\n0.499996 0.889428 0.129789 O\n0.339336 0.637633 0.875819 O\n0.500004 0.110571 0.870209 O\n0.835433 0.637641 0.050578 O\n0.839336 0.637635 0.375820 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Ni",
"As",
"O"
],
"chemical_system": "As-Na-Ni-O",
"density": 3.860854456859723,
"density_atomic": 0.07377720535777493,
"volume": 379.52101688071394,
"volume_molar": 8.162603517978555,
"formula_full": "Na4 Ni4 As4 O16",
"formula_reduced": "NaNiAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.81013245,
"spacegroup": 148
},
{
"id": "jvasp-119296",
"created_at": "2022-09-04T14:38:48.837352Z",
"updated_at": "2022-09-04T14:38:48.837366Z",
"structure_string": "Mo4 P4 O20\n1.0\n6.459234 -0.000000 0.000000\n0.000000 7.215432 0.000000\n0.000000 -0.000000 7.329640\nMo P O\n4 4 20\ndirect\n0.250000 0.240880 0.880138 Mo\n0.750000 0.740879 0.619862 Mo\n0.250000 0.259120 0.380138 Mo\n0.750000 0.759120 0.119862 Mo\n0.250000 0.636494 0.122153 P\n0.750000 0.136494 0.377847 P\n0.250000 0.863506 0.622153 P\n0.750000 0.363506 0.877847 P\n0.250000 -0.020084 0.800174 O\n0.750000 0.687526 0.367609 O\n0.250000 0.990736 0.452251 O\n0.441891 0.738500 0.618574 O\n0.250000 0.312474 0.632391 O\n0.058109 0.738500 0.618574 O\n0.558109 0.261500 0.381426 O\n0.250000 0.509263 0.952251 O\n0.250000 0.520084 0.300174 O\n0.250000 0.187526 0.132391 O\n0.441891 0.761500 0.118574 O\n0.058109 0.761500 0.118574 O\n0.750000 0.479915 0.699826 O\n0.750000 0.490736 0.047749 O\n0.558109 0.238500 0.881426 O\n0.941891 0.238500 0.881426 O\n0.750000 0.812473 0.867609 O\n0.750000 0.009263 0.547749 O\n0.750000 0.020084 0.199826 O\n0.941891 0.261500 0.381426 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 4.023149471389054,
"density_atomic": 0.08196567705124012,
"volume": 341.6064016953834,
"volume_molar": 7.347149412595362,
"formula_full": "Mo4 P4 O20",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1154584142857145,
"spacegroup": 62
},
{
"id": "jvasp-117381",
"created_at": "2022-09-04T14:38:49.791346Z",
"updated_at": "2022-09-04T14:38:49.791374Z",
"structure_string": "La8 Cu2 Ni2 O16\n1.0\n3.772981 0.000598 0.485797\n-2.028133 6.690495 0.865675\n-0.005481 0.101991 14.966225\nLa Cu Ni O\n8 2 2 16\ndirect\n0.479671 0.118880 0.159180 La\n0.979673 0.618880 0.659179 La\n0.020326 0.381119 0.340820 La\n0.520328 0.881121 0.840819 La\n0.226567 0.863662 0.408472 La\n0.726574 0.363662 0.908471 La\n0.273435 0.636341 0.091526 La\n0.773430 0.136338 0.591528 La\n-0.000001 0.000004 0.000001 Cu\n0.499998 0.499996 0.499999 Cu\n0.750001 0.749996 0.249999 Ni\n0.250000 0.249997 0.750001 Ni\n0.364091 0.178277 0.448747 O\n0.371951 0.369415 0.626029 O\n0.871952 0.869417 0.126029 O\n0.635909 0.821723 0.551254 O\n0.135904 0.321724 0.051255 O\n0.864092 0.678275 0.948747 O\n0.387051 0.565246 0.791540 O\n0.000001 0.499999 0.500001 O\n0.112951 0.934753 0.708461 O\n0.612952 0.434752 0.208462 O\n0.750002 0.250001 0.749999 O\n0.249996 0.749996 0.250000 O\n0.628050 0.630586 0.373973 O\n0.500002 0.000000 -0.000001 O\n0.887045 0.065246 0.291541 O\n0.128058 0.130587 0.873970 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"La",
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-La-Ni-O",
"density": 7.091514774821588,
"density_atomic": 0.07419254141444029,
"volume": 377.39642646275877,
"volume_molar": 8.116908580284722,
"formula_full": "La8 Cu2 Ni2 O16",
"formula_reduced": "La4CuNiO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.2177614892857145,
"spacegroup": 12
},
{
"id": "jvasp-117422",
"created_at": "2022-09-04T14:38:49.870813Z",
"updated_at": "2022-09-04T14:38:49.870837Z",
"structure_string": "Na12 Co4 O12\n1.0\n8.917829 -0.000000 0.000000\n0.000000 8.917829 0.000000\n-0.000000 -0.000000 4.537649\nNa Co O\n12 4 12\ndirect\n0.618732 0.133402 -0.000000 Na\n0.366598 0.118732 0.500000 Na\n0.859709 0.140291 0.500000 Na\n0.359709 0.359709 -0.000000 Na\n0.866598 0.381268 -0.000000 Na\n0.118732 0.366598 0.500000 Na\n0.881268 0.633402 0.500000 Na\n0.133402 0.618732 -0.000000 Na\n0.640291 0.640291 -0.000000 Na\n0.140291 0.859709 0.500000 Na\n0.633402 0.881268 0.500000 Na\n0.381268 0.866598 -0.000000 Na\n0.884132 0.884132 -0.000000 Co\n0.384132 0.615869 0.500000 Co\n0.615869 0.384132 0.500000 Co\n0.115869 0.115869 -0.000000 Co\n0.905177 0.094823 -0.000000 O\n0.317267 0.107374 -0.000000 O\n0.607374 0.182733 0.500000 O\n0.107374 0.317267 -0.000000 O\n0.817267 0.392626 0.500000 O\n0.405177 0.405177 0.500000 O\n0.594823 0.594823 0.500000 O\n0.182733 0.607374 0.500000 O\n0.892626 0.682733 -0.000000 O\n0.392626 0.817267 0.500000 O\n0.682733 0.892626 -0.000000 O\n0.094823 0.905177 -0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.237631998552029,
"density_atomic": 0.07759055376932365,
"volume": 360.8686707307679,
"volume_molar": 7.761435467909916,
"formula_full": "Na12 Co4 O12",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1580197714285714,
"spacegroup": 136
},
{
"id": "jvasp-122506",
"created_at": "2022-09-04T14:38:54.202940Z",
"updated_at": "2022-09-04T14:38:54.202966Z",
"structure_string": "Li4 Ni4 As4 O16\n1.0\n4.892397 -0.000000 0.000000\n0.000000 5.911706 0.000000\n-0.000000 -0.000000 10.308754\nLi Ni As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.993472 0.249999 0.270694 Ni\n0.506529 0.249999 0.770693 Ni\n0.006529 0.750001 0.729305 Ni\n0.493471 0.750001 0.229306 Ni\n0.562403 0.750001 0.906641 As\n0.937597 0.750001 0.406640 As\n0.437598 0.249999 0.093359 As\n0.062403 0.249999 0.593359 As\n0.270461 0.476212 0.169328 O\n0.770462 0.523788 0.330672 O\n0.270461 0.023788 0.169328 O\n0.770462 0.976213 0.330672 O\n0.729539 0.523788 0.830671 O\n0.229539 0.476212 0.669328 O\n0.792070 0.750001 0.559858 O\n0.212832 0.750001 0.905720 O\n0.292070 0.249999 0.940141 O\n0.707931 0.750001 0.059858 O\n0.287168 0.750001 0.405720 O\n0.712835 0.249999 0.594280 O\n0.229539 0.023788 0.669328 O\n0.787167 0.249999 0.094280 O\n0.207930 0.249999 0.440142 O\n0.729539 0.976213 0.830671 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"As",
"O"
],
"chemical_system": "As-Li-Ni-O",
"density": 4.556963195856795,
"density_atomic": 0.09391118840807922,
"volume": 298.1540376033741,
"volume_molar": 6.412591366463756,
"formula_full": "Li4 Ni4 As4 O16",
"formula_reduced": "LiNiAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0273840214285714,
"spacegroup": 62
},
{
"id": "jvasp-119303",
"created_at": "2022-09-04T14:38:50.507206Z",
"updated_at": "2022-09-04T14:38:50.507236Z",
"structure_string": "Ti12 Al8 Ni4 O4\n1.0\n6.956696 -0.000000 4.016450\n2.318899 6.558836 4.016450\n-0.000000 -0.000000 8.032900\nTi Al Ni O\n12 8 4 4\ndirect\n0.565287 0.934714 0.565286 Ti\n0.315287 0.684714 0.684713 Ti\n0.684714 0.315287 0.315286 Ti\n0.315287 0.684714 0.315286 Ti\n0.684714 0.684714 0.315286 Ti\n0.315287 0.315287 0.684713 Ti\n0.565287 0.565287 0.934713 Ti\n0.934714 0.565287 0.565286 Ti\n0.565287 0.934714 0.934713 Ti\n0.934714 0.934714 0.565286 Ti\n0.684714 0.315287 0.684713 Ti\n0.934714 0.565287 0.934713 Ti\n0.916818 0.916818 0.916817 Al\n0.000452 0.333182 0.333182 Al\n0.333182 0.333182 0.000452 Al\n0.333182 0.000452 0.333182 Al\n0.249548 0.916818 0.916817 Al\n0.916818 0.249548 0.916817 Al\n0.333182 0.333182 0.333182 Al\n0.916818 0.916818 0.249547 Al\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Ti",
"density": 4.933848272149587,
"density_atomic": 0.07639340599747717,
"volume": 366.5237808735047,
"volume_molar": 7.88306357252729,
"formula_full": "Ti12 Al8 Ni4 O4",
"formula_reduced": "Ti3Al2NiO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.8079266428571428,
"spacegroup": 227
},
{
"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-120744",
"created_at": "2022-09-04T14:38:49.088078Z",
"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"P",
"O"
],
"chemical_system": "Co-Cr-Li-O-P",
"density": 3.540743701357682,
"density_atomic": 0.09589911028288808,
"volume": 291.9735117187654,
"volume_molar": 6.279662806292553,
"formula_full": "Li4 Cr3 Co1 P4 O16",
"formula_reduced": "Li4Cr3Co(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.1734332535714285,
"spacegroup": 6
},
{
"id": "jvasp-119722",
"created_at": "2022-09-04T14:38:52.514283Z",
"updated_at": "2022-09-04T14:38:52.514309Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.047921464664339,
"density_atomic": 0.09283316547736263,
"volume": 301.6163442883761,
"volume_molar": 6.487057431504368,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3467907521798037,
"spacegroup": 62
}
]
}