GET /third-parties/OqmdStructure/?format=api&ordering=-nsites&page=82
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 1013513,
    "next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=83",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=81",
    "results": [
        {
            "id": "oqmd-1282612",
            "created_at": "2022-09-04T15:42:24.096046Z",
            "updated_at": "2022-09-04T15:42:24.096073Z",
            "structure_string": "Li12 Mn8 Br12 O48\n1.0\n8.344858 4.817906 3.406774\n-8.344858 4.817906 3.406774\n0.000000 -9.635813 3.406774\nBr Li Mn O\n12 12 8 48\ndirect\n0.250001 0.375000 0.125000 Br\n0.375000 0.749999 0.125000 Br\n0.375000 0.125000 0.250001 Br\n0.875000 0.625000 0.250001 Br\n0.749999 0.125000 0.375000 Br\n0.125000 0.250001 0.375000 Br\n0.250001 0.875000 0.625000 Br\n0.875000 0.750000 0.625001 Br\n0.125000 0.375000 0.749999 Br\n0.625000 0.875000 0.750000 Br\n0.625000 0.250001 0.875000 Br\n0.749999 0.625001 0.875000 Br\n0.750000 0.875000 0.124999 Li\n0.875000 0.250000 0.125000 Li\n0.625001 0.375000 0.250000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.625001 0.375000 Li\n0.624999 0.750000 0.375000 Li\n0.749999 0.375000 0.625000 Li\n0.375000 0.250000 0.625001 Li\n0.375000 0.625000 0.749999 Li\n0.875000 0.124999 0.750000 Li\n0.124999 0.750000 0.875000 Li\n0.250000 0.125000 0.875000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.499999 0.500000 0.000000 Mn\n0.500000 0.000000 0.499999 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.201968 0.118790 0.028690 O\n0.326723 0.909900 0.028691 O\n0.881209 0.409900 0.083178 O\n0.701968 0.673277 0.083178 O\n0.618790 0.416822 0.090100 O\n0.971308 0.673277 0.090100 O\n0.028690 0.201968 0.118790 O\n0.590099 0.916822 0.118790 O\n0.471309 0.590099 0.173277 O\n0.201969 0.583178 0.173278 O\n0.118790 0.028690 0.201968 O\n0.583178 0.173278 0.201969 O\n0.471309 0.381209 0.298032 O\n0.326723 0.916822 0.298033 O\n0.909900 0.028691 0.326723 O\n0.916822 0.298033 0.326723 O\n0.298032 0.471309 0.381209 O\n0.583178 0.909900 0.381210 O\n0.826722 0.528690 0.409900 O\n0.083177 0.881209 0.409901 O\n0.090100 0.618790 0.416822 O\n0.826722 0.798032 0.416822 O\n0.381209 0.298032 0.471309 O\n0.590099 0.173277 0.471309 O\n0.409900 0.826722 0.528690 O\n0.618791 0.701968 0.528691 O\n0.909900 0.381210 0.583178 O\n0.173278 0.201969 0.583178 O\n0.173277 0.471309 0.590099 O\n0.916822 0.118790 0.590100 O\n0.416822 0.090100 0.618790 O\n0.701968 0.528691 0.618791 O\n0.090100 0.971309 0.673277 O\n0.083178 0.701968 0.673277 O\n0.673277 0.083178 0.701968 O\n0.528691 0.618791 0.701968 O\n0.416822 0.826723 0.798031 O\n0.881209 0.971309 0.798032 O\n0.528690 0.409900 0.826722 O\n0.798031 0.416822 0.826723 O\n0.409900 0.083178 0.881209 O\n0.971309 0.798032 0.881209 O\n0.028691 0.326723 0.909900 O\n0.381210 0.583178 0.909900 O\n0.298033 0.326723 0.916822 O\n0.118790 0.590100 0.916822 O\n0.673277 0.090100 0.971309 O\n0.798032 0.881209 0.971309 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Br",
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "Br-Li-Mn-O",
            "density": 4.545540449980089,
            "density_atomic": 0.09734599961431158,
            "volume": 821.8108634865628,
            "volume_molar": 6.186325872516533,
            "formula_full": "Li12 Mn8 Br12 O48",
            "formula_reduced": "Li3Mn2(BrO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.811801141485815,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1282572",
            "created_at": "2022-09-04T15:42:24.117170Z",
            "updated_at": "2022-09-04T15:42:24.117196Z",
            "structure_string": "Li12 Fe8 Rh12 O48\n1.0\n9.381350 0.000000 0.000000\n-3.127117 8.844822 0.000000\n-3.127117 -4.422411 7.659840\nFe Li O Rh\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500001 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500001 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500001 Fe\n0.500001 0.500001 0.500001 Fe\n0.875000 0.750000 0.125000 Li\n0.750000 0.375000 0.125001 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.125001 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.329305 0.409159 0.024252 O\n0.194947 0.615094 0.024252 O\n0.694948 0.170695 0.079854 O\n0.884906 0.909159 0.079854 O\n0.975748 0.170695 0.090841 O\n0.615093 0.920146 0.090841 O\n0.590841 0.420146 0.115093 O\n0.024253 0.694948 0.115094 O\n0.475748 0.090841 0.170694 O\n0.194947 0.079854 0.170695 O\n0.115093 0.524253 0.194947 O\n0.579854 0.670695 0.194947 O\n0.475748 0.884906 0.305052 O\n0.329305 0.420147 0.305053 O\n0.909159 0.524252 0.329305 O\n0.920146 0.805053 0.329305 O\n0.579854 0.409160 0.384906 O\n0.305052 0.975748 0.384906 O\n0.829305 0.024252 0.409159 O\n0.079854 0.384906 0.409159 O\n0.090841 0.115093 0.420147 O\n0.829305 0.305052 0.420147 O\n0.590842 0.670695 0.475748 O\n0.384906 0.805052 0.475748 O\n0.615094 0.194947 0.524253 O\n0.409160 0.329305 0.524253 O\n0.170695 0.694947 0.579854 O\n0.909159 0.884906 0.579854 O\n0.920146 0.615094 0.590841 O\n0.170694 0.975748 0.590841 O\n0.694947 0.024252 0.615093 O\n0.420147 0.590842 0.615094 O\n0.079853 0.194947 0.670695 O\n0.090841 0.475748 0.670695 O\n0.524252 0.115093 0.694947 O\n0.670695 0.579854 0.694948 O\n0.420146 0.329305 0.805052 O\n0.884906 0.475748 0.805053 O\n0.524253 0.909159 0.829305 O\n0.805052 0.920146 0.829305 O\n0.975748 0.305053 0.884906 O\n0.409159 0.579854 0.884906 O\n0.024252 0.829305 0.909159 O\n0.384906 0.079854 0.909159 O\n0.115094 0.090841 0.920146 O\n0.305053 0.829305 0.920146 O\n0.805053 0.384906 0.975748 O\n0.670695 0.590841 0.975748 O\n0.375000 0.250000 0.125000 Rh\n0.250000 0.875000 0.125000 Rh\n0.875000 0.125000 0.250000 Rh\n0.375000 0.625000 0.250000 Rh\n0.750000 0.625000 0.375000 Rh\n0.125001 0.750000 0.375000 Rh\n0.875000 0.250000 0.625000 Rh\n0.250000 0.375000 0.625000 Rh\n0.625000 0.375000 0.750000 Rh\n0.125000 0.875000 0.750000 Rh\n0.750000 0.125000 0.875000 Rh\n0.625000 0.750000 0.875000 Rh\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Fe",
                "Li",
                "O",
                "Rh"
            ],
            "chemical_system": "Fe-Li-O-Rh",
            "density": 6.617457417462523,
            "density_atomic": 0.12586815105860022,
            "volume": 635.5857246425629,
            "volume_molar": 4.784483373555143,
            "formula_full": "Li12 Fe8 Rh12 O48",
            "formula_reduced": "Li3Fe2(RhO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.12762037261868,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1282518",
            "created_at": "2022-09-04T15:42:24.102693Z",
            "updated_at": "2022-09-04T15:42:24.102709Z",
            "structure_string": "La12 Ag12 Se8 O48\n1.0\n10.749708 0.000000 0.000000\n-3.583236 10.134922 0.000000\n-3.583236 -5.067461 8.777100\nAg La O Se\n12 12 48 8\ndirect\n0.750000 0.375000 0.125000 Ag\n0.875000 0.750000 0.125000 Ag\n0.125000 0.375000 0.250000 Ag\n0.625000 0.875000 0.250000 Ag\n0.250000 0.125000 0.375000 Ag\n0.625000 0.250000 0.375000 Ag\n0.375000 0.750000 0.625000 Ag\n0.750000 0.875000 0.625000 Ag\n0.375000 0.125000 0.750000 Ag\n0.875000 0.625000 0.750000 Ag\n0.125000 0.250000 0.875000 Ag\n0.250000 0.625000 0.875000 Ag\n0.375000 0.250000 0.125000 La\n0.250000 0.875000 0.125000 La\n0.875000 0.125000 0.250000 La\n0.375000 0.625000 0.250000 La\n0.125000 0.750000 0.375000 La\n0.750000 0.625000 0.375000 La\n0.875000 0.250000 0.625000 La\n0.250000 0.375000 0.625000 La\n0.625000 0.375000 0.750000 La\n0.125000 0.875000 0.750000 La\n0.750000 0.125000 0.875000 La\n0.625000 0.750000 0.875000 La\n0.334432 0.408108 0.016734 O\n0.182302 0.608626 0.016734 O\n0.682303 0.165569 0.073677 O\n0.891374 0.908108 0.073677 O\n0.983266 0.165569 0.091892 O\n0.608626 0.926324 0.091892 O\n0.591892 0.426324 0.108626 O\n0.016734 0.682303 0.108626 O\n0.182302 0.073677 0.165569 O\n0.483266 0.091892 0.165569 O\n0.108626 0.516734 0.182302 O\n0.573677 0.665569 0.182302 O\n0.334432 0.426324 0.317698 O\n0.483266 0.891374 0.317698 O\n0.908108 0.516734 0.334432 O\n0.926324 0.817698 0.334432 O\n0.573677 0.408108 0.391374 O\n0.317698 0.983266 0.391374 O\n0.834432 0.016734 0.408108 O\n0.073677 0.391374 0.408108 O\n0.091892 0.108626 0.426324 O\n0.834432 0.317698 0.426324 O\n0.591892 0.665569 0.483266 O\n0.391374 0.817698 0.483266 O\n0.608626 0.182302 0.516734 O\n0.408108 0.334432 0.516734 O\n0.165569 0.682303 0.573677 O\n0.908108 0.891374 0.573677 O\n0.926324 0.608626 0.591892 O\n0.165569 0.983266 0.591892 O\n0.682303 0.016734 0.608626 O\n0.426324 0.591892 0.608626 O\n0.073677 0.182302 0.665569 O\n0.091892 0.483266 0.665569 O\n0.516734 0.108626 0.682303 O\n0.665569 0.573677 0.682303 O\n0.426324 0.334432 0.817698 O\n0.891374 0.483266 0.817698 O\n0.516734 0.908108 0.834432 O\n0.817698 0.926324 0.834432 O\n0.983266 0.317698 0.891374 O\n0.408108 0.573677 0.891374 O\n0.391374 0.073677 0.908108 O\n0.016734 0.834432 0.908108 O\n0.108626 0.091892 0.926324 O\n0.317698 0.834432 0.926324 O\n0.817698 0.391374 0.983266 O\n0.665569 0.591892 0.983266 O\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ag",
                "La",
                "O",
                "Se"
            ],
            "chemical_system": "Ag-La-O-Se",
            "density": 7.572871897867155,
            "density_atomic": 0.08366077097198892,
            "volume": 956.2426818512753,
            "volume_molar": 7.198285038535348,
            "formula_full": "La12 Ag12 Se8 O48",
            "formula_reduced": "La3Ag3(SeO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.75329968915225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1282680",
            "created_at": "2022-09-04T15:42:24.169234Z",
            "updated_at": "2022-09-04T15:42:24.169274Z",
            "structure_string": "Li12 Te8 Rh12 O48\n1.0\n9.818246 0.000000 0.000000\n-3.272749 9.256731 0.000000\n-3.272749 -4.628366 8.016564\nLi O Rh Te\n12 48 12 8\ndirect\n0.749999 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375001 Li\n0.375000 0.749999 0.625000 Li\n0.749999 0.875000 0.625000 Li\n0.375000 0.125000 0.749999 Li\n0.875000 0.625000 0.749999 Li\n0.125001 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.324483 0.407536 0.029496 O\n0.205013 0.621961 0.029496 O\n0.705013 0.175517 0.083052 O\n0.878041 0.907536 0.083053 O\n0.621960 0.916947 0.092464 O\n0.970505 0.175517 0.092465 O\n0.592464 0.416948 0.121959 O\n0.029496 0.705013 0.121960 O\n0.205012 0.083053 0.175517 O\n0.470504 0.092464 0.175517 O\n0.121960 0.529496 0.205012 O\n0.583052 0.675516 0.205012 O\n0.324484 0.416948 0.294987 O\n0.470504 0.878040 0.294987 O\n0.907535 0.529495 0.324483 O\n0.916948 0.794988 0.324484 O\n0.583052 0.407536 0.378040 O\n0.294988 0.970505 0.378040 O\n0.824483 0.029496 0.407536 O\n0.083053 0.378040 0.407536 O\n0.092464 0.121960 0.416948 O\n0.824483 0.294987 0.416948 O\n0.592464 0.675517 0.470504 O\n0.378040 0.794988 0.470505 O\n0.621960 0.205012 0.529496 O\n0.407536 0.324484 0.529496 O\n0.175517 0.705012 0.583052 O\n0.907535 0.878040 0.583052 O\n0.916948 0.621960 0.592464 O\n0.175517 0.970505 0.592464 O\n0.705013 0.029496 0.621960 O\n0.416948 0.592464 0.621961 O\n0.092464 0.470504 0.675516 O\n0.083053 0.205013 0.675517 O\n0.529495 0.121959 0.705012 O\n0.675517 0.583052 0.705013 O\n0.878040 0.470504 0.794987 O\n0.416948 0.324483 0.794988 O\n0.529496 0.907535 0.824483 O\n0.794988 0.916948 0.824483 O\n0.970504 0.294987 0.878040 O\n0.407536 0.583052 0.878040 O\n0.378039 0.083052 0.907535 O\n0.029496 0.824483 0.907536 O\n0.294987 0.824483 0.916947 O\n0.121960 0.092465 0.916948 O\n0.794988 0.378040 0.970505 O\n0.675516 0.592464 0.970505 O\n0.375000 0.250000 0.125000 Rh\n0.250000 0.875000 0.125001 Rh\n0.875000 0.125001 0.250000 Rh\n0.375001 0.625000 0.250000 Rh\n0.749999 0.625000 0.375000 Rh\n0.125000 0.749999 0.375000 Rh\n0.875000 0.250000 0.625000 Rh\n0.250000 0.375001 0.625000 Rh\n0.625000 0.375000 0.749999 Rh\n0.125000 0.875000 0.750000 Rh\n0.750000 0.125000 0.875000 Rh\n0.625000 0.749999 0.875000 Rh\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "O",
                "Rh",
                "Te"
            ],
            "chemical_system": "Li-O-Rh-Te",
            "density": 7.081098530777011,
            "density_atomic": 0.10980197965889921,
            "volume": 728.5843137666615,
            "volume_molar": 5.484546616288553,
            "formula_full": "Li12 Te8 Rh12 O48",
            "formula_reduced": "Li3Te2(RhO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.13345124386059,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350608",
            "created_at": "2022-09-04T15:46:58.961949Z",
            "updated_at": "2022-09-04T15:46:58.961969Z",
            "structure_string": "Dy12 Nb12 Re8 N48\n1.0\n-6.385489 6.385489 6.385489\n6.385489 -6.385489 6.385489\n6.385489 6.385489 -6.385489\nDy N Nb Re\n12 48 12 8\ndirect\n0.250000 0.374999 0.125000 Dy\n0.375000 0.750000 0.125000 Dy\n0.374999 0.125000 0.250000 Dy\n0.874999 0.625000 0.250000 Dy\n0.125000 0.250000 0.374999 Dy\n0.750000 0.125000 0.375000 Dy\n0.875000 0.750000 0.625000 Dy\n0.250000 0.874999 0.625000 Dy\n0.125000 0.375000 0.750000 Dy\n0.625000 0.875000 0.750000 Dy\n0.625000 0.250000 0.874999 Dy\n0.750000 0.625000 0.875000 Dy\n0.325674 0.908467 0.024670 N\n0.198996 0.116203 0.024671 N\n0.698997 0.674326 0.082793 N\n0.883797 0.408468 0.082794 N\n0.975329 0.674325 0.091532 N\n0.616203 0.417207 0.091533 N\n0.591532 0.917206 0.116203 N\n0.024671 0.198996 0.116203 N\n0.198996 0.582793 0.174326 N\n0.475329 0.591533 0.174326 N\n0.582793 0.174326 0.198996 N\n0.116203 0.024671 0.198996 N\n0.475329 0.383798 0.301004 N\n0.325674 0.917207 0.301004 N\n0.908467 0.024670 0.325674 N\n0.917207 0.301004 0.325674 N\n0.582793 0.908468 0.383797 N\n0.301004 0.475329 0.383798 N\n0.825674 0.524671 0.408468 N\n0.082794 0.883797 0.408468 N\n0.825674 0.801003 0.417206 N\n0.091533 0.616203 0.417207 N\n0.591533 0.174326 0.475329 N\n0.383798 0.301004 0.475329 N\n0.616203 0.698996 0.524670 N\n0.408468 0.825674 0.524671 N\n0.174326 0.198996 0.582793 N\n0.908468 0.383797 0.582793 N\n0.917206 0.116203 0.591532 N\n0.174326 0.475329 0.591533 N\n0.698996 0.524670 0.616203 N\n0.417207 0.091533 0.616203 N\n0.091532 0.975329 0.674325 N\n0.082793 0.698997 0.674326 N\n0.524670 0.616203 0.698996 N\n0.674326 0.082793 0.698997 N\n0.417206 0.825674 0.801003 N\n0.883797 0.975329 0.801004 N\n0.801003 0.417206 0.825674 N\n0.524671 0.408468 0.825674 N\n0.408468 0.082794 0.883797 N\n0.975329 0.801004 0.883797 N\n0.024670 0.325674 0.908467 N\n0.383797 0.582793 0.908468 N\n0.116203 0.591532 0.917206 N\n0.301004 0.325674 0.917207 N\n0.674325 0.091532 0.975329 N\n0.801004 0.883797 0.975329 N\n0.750000 0.874999 0.125000 Nb\n0.875000 0.250000 0.125001 Nb\n0.625000 0.375000 0.250000 Nb\n0.125001 0.875000 0.250000 Nb\n0.625000 0.750000 0.374999 Nb\n0.250000 0.625000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.374999 0.625000 Nb\n0.874999 0.125000 0.750000 Nb\n0.374999 0.625000 0.750000 Nb\n0.125000 0.750000 0.874999 Nb\n0.250000 0.125001 0.875000 Nb\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Dy",
                "N",
                "Nb",
                "Re"
            ],
            "chemical_system": "Dy-N-Nb-Re",
            "density": 8.333875445884894,
            "density_atomic": 0.07681526132922817,
            "volume": 1041.4597127662187,
            "volume_molar": 7.839771232684173,
            "formula_full": "Dy12 Nb12 Re8 N48",
            "formula_reduced": "Dy3Nb3(ReN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.826189707456103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-40764",
            "created_at": "2022-09-04T15:52:15.500541Z",
            "updated_at": "2022-09-04T15:52:15.500572Z",
            "structure_string": "Ca12 Fe8 Ge12 O48\n1.0\n-6.148535 6.148535 6.148535\n6.148535 -6.148535 6.148535\n6.148535 6.148535 -6.148535\nCa Fe Ge O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.375000 0.750000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.875000 0.625000 0.250000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.875000 0.750000 0.625000 Ca\n0.250000 0.875000 0.625000 Ca\n0.125000 0.375000 0.750000 Ca\n0.625000 0.875000 0.750000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.875000 0.250000 0.125000 Ge\n0.750000 0.875000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.125000 0.875000 0.250000 Ge\n0.250000 0.625000 0.375000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.750000 0.375000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.625000 0.750000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.204836 0.118130 0.019545 O\n0.314709 0.901415 0.019545 O\n0.881870 0.401415 0.086706 O\n0.704836 0.685291 0.086706 O\n0.618130 0.413294 0.098585 O\n0.980455 0.685291 0.098585 O\n0.019545 0.204836 0.118130 O\n0.598585 0.913294 0.118130 O\n0.204836 0.586706 0.185291 O\n0.480455 0.598585 0.185291 O\n0.118130 0.019545 0.204836 O\n0.586706 0.185291 0.204836 O\n0.480455 0.381870 0.295164 O\n0.314709 0.913294 0.295164 O\n0.901415 0.019545 0.314709 O\n0.913294 0.295164 0.314709 O\n0.295164 0.480455 0.381870 O\n0.586706 0.901415 0.381870 O\n0.814709 0.519545 0.401415 O\n0.086706 0.881870 0.401415 O\n0.098585 0.618130 0.413294 O\n0.814709 0.795164 0.413294 O\n0.598585 0.185291 0.480455 O\n0.381870 0.295164 0.480455 O\n0.618130 0.704836 0.519545 O\n0.401415 0.814709 0.519545 O\n0.185291 0.204836 0.586706 O\n0.901415 0.381870 0.586706 O\n0.913294 0.118130 0.598585 O\n0.185291 0.480455 0.598585 O\n0.413294 0.098585 0.618130 O\n0.704836 0.519545 0.618130 O\n0.098585 0.980455 0.685291 O\n0.086706 0.704836 0.685291 O\n0.685291 0.086706 0.704836 O\n0.519545 0.618130 0.704836 O\n0.413294 0.814709 0.795164 O\n0.881870 0.980455 0.795164 O\n0.519545 0.401415 0.814709 O\n0.795164 0.413294 0.814709 O\n0.980455 0.795164 0.881870 O\n0.401415 0.086706 0.881870 O\n0.019545 0.314709 0.901415 O\n0.381870 0.586706 0.901415 O\n0.295164 0.314709 0.913294 O\n0.118130 0.598585 0.913294 O\n0.685291 0.098585 0.980455 O\n0.795164 0.881870 0.980455 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ca",
                "Fe",
                "Ge",
                "O"
            ],
            "chemical_system": "Ca-Fe-Ge-O",
            "density": 4.585205057008248,
            "density_atomic": 0.08604290148620293,
            "volume": 929.7687388288281,
            "volume_molar": 6.998997774343601,
            "formula_full": "Ca12 Fe8 Ge12 O48",
            "formula_reduced": "Ca3Fe2(GeO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.412283638243678,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1282573",
            "created_at": "2022-09-04T15:42:24.154643Z",
            "updated_at": "2022-09-04T15:42:24.154670Z",
            "structure_string": "Li12 Fe8 Ru12 O48\n1.0\n9.364790 0.000000 0.000000\n-3.121597 8.829209 0.000000\n-3.121597 -4.414604 7.646319\nFe Li O Ru\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500001 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500001 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500001 Fe\n0.500001 0.500001 0.500001 Fe\n0.875000 0.750000 0.125000 Li\n0.750000 0.375000 0.125001 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.125001 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.329305 0.409159 0.024252 O\n0.194947 0.615094 0.024252 O\n0.694948 0.170695 0.079854 O\n0.884906 0.909159 0.079854 O\n0.975748 0.170695 0.090841 O\n0.615093 0.920146 0.090841 O\n0.590841 0.420146 0.115093 O\n0.024253 0.694948 0.115094 O\n0.475748 0.090841 0.170694 O\n0.194947 0.079854 0.170695 O\n0.115093 0.524253 0.194947 O\n0.579854 0.670695 0.194947 O\n0.475748 0.884906 0.305052 O\n0.329305 0.420147 0.305053 O\n0.909159 0.524252 0.329305 O\n0.920146 0.805053 0.329305 O\n0.579854 0.409160 0.384906 O\n0.305052 0.975748 0.384906 O\n0.829305 0.024252 0.409159 O\n0.079854 0.384906 0.409159 O\n0.090841 0.115093 0.420147 O\n0.829305 0.305052 0.420147 O\n0.590842 0.670695 0.475748 O\n0.384906 0.805052 0.475748 O\n0.615094 0.194947 0.524253 O\n0.409160 0.329305 0.524253 O\n0.170695 0.694947 0.579854 O\n0.909159 0.884906 0.579854 O\n0.920146 0.615094 0.590841 O\n0.170694 0.975748 0.590841 O\n0.694947 0.024252 0.615093 O\n0.420147 0.590842 0.615094 O\n0.079853 0.194947 0.670695 O\n0.090841 0.475748 0.670695 O\n0.524252 0.115093 0.694947 O\n0.670695 0.579854 0.694948 O\n0.420146 0.329305 0.805052 O\n0.884906 0.475748 0.805053 O\n0.524253 0.909159 0.829305 O\n0.805052 0.920146 0.829305 O\n0.975748 0.305053 0.884906 O\n0.409159 0.579854 0.884906 O\n0.024252 0.829305 0.909159 O\n0.384906 0.079854 0.909159 O\n0.115094 0.090841 0.920146 O\n0.305053 0.829305 0.920146 O\n0.805053 0.384906 0.975748 O\n0.670695 0.590841 0.975748 O\n0.375000 0.250000 0.125000 Ru\n0.250000 0.875000 0.125000 Ru\n0.875000 0.125000 0.250000 Ru\n0.375000 0.625000 0.250000 Ru\n0.750000 0.625000 0.375000 Ru\n0.125001 0.750000 0.375000 Ru\n0.875000 0.250000 0.625000 Ru\n0.250000 0.375000 0.625000 Ru\n0.625000 0.375000 0.750000 Ru\n0.125000 0.875000 0.750000 Ru\n0.750000 0.125000 0.875000 Ru\n0.625000 0.750000 0.875000 Ru\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Fe",
                "Li",
                "O",
                "Ru"
            ],
            "chemical_system": "Fe-Li-O-Ru",
            "density": 6.594773682377412,
            "density_atomic": 0.12653705836094883,
            "volume": 632.2258556999074,
            "volume_molar": 4.759191368920363,
            "formula_full": "Li12 Fe8 Ru12 O48",
            "formula_reduced": "Li3Fe2(RuO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.25861561261868,
            "spacegroup": 230
        },
        {
            "id": "oqmd-675462",
            "created_at": "2022-09-04T15:16:15.771571Z",
            "updated_at": "2022-09-04T15:16:15.771599Z",
            "structure_string": "Li12 Mn12 Nb8 O48\n1.0\n5.867963 5.867963 5.867963\n-5.867963 5.867963 -5.867963\n-5.867963 -5.867963 5.867963\nLi Mn Nb O\n12 12 8 48\ndirect\n0.750000 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625001 0.250000 0.375001 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625001 Li\n0.375000 0.125000 0.750000 Li\n0.875000 0.625001 0.750000 Li\n0.250000 0.625000 0.875000 Li\n0.125001 0.250000 0.875000 Li\n0.375000 0.250000 0.125000 Mn\n0.250000 0.875000 0.125001 Mn\n0.875000 0.125001 0.250000 Mn\n0.375001 0.625001 0.250000 Mn\n0.750000 0.625000 0.375000 Mn\n0.125000 0.750000 0.375000 Mn\n0.875000 0.250000 0.625000 Mn\n0.250000 0.375001 0.625001 Mn\n0.625000 0.375000 0.750000 Mn\n0.125000 0.875000 0.750000 Mn\n0.750000 0.125000 0.875000 Mn\n0.625001 0.750000 0.875000 Mn\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.319303 0.426538 0.044573 O\n0.225270 0.618036 0.044573 O\n0.955428 0.180696 0.073462 O\n0.618036 0.892765 0.073462 O\n0.725270 0.180696 0.107234 O\n0.881965 0.926538 0.107235 O\n0.573462 0.392766 0.118034 O\n0.044573 0.725270 0.118035 O\n0.225269 0.107235 0.180696 O\n0.455427 0.073462 0.180697 O\n0.607235 0.680696 0.225269 O\n0.118036 0.544573 0.225270 O\n0.319303 0.392766 0.274730 O\n0.455427 0.881965 0.274731 O\n0.926538 0.544572 0.319303 O\n0.892765 0.774730 0.319303 O\n0.607235 0.426537 0.381965 O\n0.274732 0.955428 0.381966 O\n0.819303 0.274731 0.392765 O\n0.073462 0.118036 0.392766 O\n0.819304 0.044573 0.426538 O\n0.107235 0.381966 0.426538 O\n0.573462 0.680697 0.455427 O\n0.381966 0.774731 0.455428 O\n0.618034 0.225269 0.544572 O\n0.426537 0.319303 0.544573 O\n0.892765 0.618034 0.573462 O\n0.180697 0.955427 0.573462 O\n0.180696 0.725269 0.607235 O\n0.926538 0.881965 0.607235 O\n0.725270 0.044573 0.618035 O\n0.392766 0.573462 0.618036 O\n0.073462 0.455427 0.680696 O\n0.107235 0.225270 0.680697 O\n0.544572 0.118034 0.725269 O\n0.680697 0.607235 0.725270 O\n0.881965 0.455427 0.774731 O\n0.392766 0.319303 0.774731 O\n0.774731 0.892765 0.819303 O\n0.544573 0.926538 0.819304 O\n0.955427 0.274730 0.881964 O\n0.426538 0.607235 0.881965 O\n0.118034 0.073462 0.892765 O\n0.274730 0.819303 0.892765 O\n0.381965 0.107234 0.926538 O\n0.044573 0.819303 0.926538 O\n0.774730 0.381965 0.955427 O\n0.680696 0.573462 0.955428 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Nb",
                "O"
            ],
            "chemical_system": "Li-Mn-Nb-O",
            "density": 4.630594481020085,
            "density_atomic": 0.09898465992826103,
            "volume": 808.2060397841431,
            "volume_molar": 6.083913168327837,
            "formula_full": "Li12 Mn12 Nb8 O48",
            "formula_reduced": "Li3Mn3Nb2O12",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.94888674510903,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350530",
            "created_at": "2022-09-04T15:46:57.376058Z",
            "updated_at": "2022-09-04T15:46:57.376091Z",
            "structure_string": "Sm12 Sb12 W8 N48\n1.0\n-6.481539 6.481539 6.481539\n6.481539 -6.481539 6.481539\n6.481539 6.481539 -6.481539\nN Sb Sm W\n48 12 12 8\ndirect\n0.327401 0.911300 0.026406 N\n0.199004 0.115106 0.026406 N\n0.884894 0.411300 0.083898 N\n0.699005 0.672599 0.083898 N\n0.615106 0.416102 0.088700 N\n0.973594 0.672599 0.088700 N\n0.026406 0.199004 0.115106 N\n0.588700 0.916102 0.115106 N\n0.199004 0.583898 0.172599 N\n0.473594 0.588700 0.172599 N\n0.583898 0.172599 0.199004 N\n0.115106 0.026406 0.199004 N\n0.473594 0.384894 0.300996 N\n0.327401 0.916102 0.300996 N\n0.911300 0.026406 0.327401 N\n0.916102 0.300996 0.327401 N\n0.300996 0.473594 0.384894 N\n0.583898 0.911300 0.384894 N\n0.827402 0.526406 0.411300 N\n0.083898 0.884894 0.411300 N\n0.088700 0.615106 0.416102 N\n0.827402 0.800996 0.416102 N\n0.588700 0.172599 0.473594 N\n0.384894 0.300996 0.473594 N\n0.615106 0.699005 0.526406 N\n0.411300 0.827402 0.526406 N\n0.172599 0.199004 0.583898 N\n0.911300 0.384894 0.583898 N\n0.916102 0.115106 0.588700 N\n0.172599 0.473594 0.588700 N\n0.416102 0.088700 0.615106 N\n0.699005 0.526406 0.615106 N\n0.088700 0.973594 0.672599 N\n0.083898 0.699005 0.672599 N\n0.526406 0.615106 0.699005 N\n0.672599 0.083898 0.699005 N\n0.416102 0.827402 0.800996 N\n0.884894 0.973594 0.800996 N\n0.526406 0.411300 0.827402 N\n0.800996 0.416102 0.827402 N\n0.411300 0.083898 0.884894 N\n0.973594 0.800996 0.884894 N\n0.026406 0.327401 0.911300 N\n0.384894 0.583898 0.911300 N\n0.115106 0.588700 0.916102 N\n0.300996 0.327401 0.916102 N\n0.672599 0.088700 0.973594 N\n0.800996 0.884894 0.973594 N\n0.750000 0.875000 0.125000 Sb\n0.875000 0.250000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.125000 0.875000 0.250000 Sb\n0.625000 0.750000 0.375000 Sb\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.750000 0.375000 0.625000 Sb\n0.875000 0.125000 0.750000 Sb\n0.375000 0.625000 0.750000 Sb\n0.250000 0.125000 0.875000 Sb\n0.125000 0.750000 0.875000 Sb\n0.250000 0.375000 0.125000 Sm\n0.375000 0.750000 0.125000 Sm\n0.375000 0.125000 0.250000 Sm\n0.875000 0.625000 0.250000 Sm\n0.125000 0.250000 0.375000 Sm\n0.750000 0.125000 0.375000 Sm\n0.875000 0.750000 0.625000 Sm\n0.250000 0.875000 0.625000 Sm\n0.125000 0.375000 0.750000 Sm\n0.625000 0.875000 0.750000 Sm\n0.625000 0.250000 0.875000 Sm\n0.750000 0.625000 0.875000 Sm\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "N",
                "Sb",
                "Sm",
                "W"
            ],
            "chemical_system": "N-Sb-Sm-W",
            "density": 8.24574778905341,
            "density_atomic": 0.07345063926895688,
            "volume": 1089.1668308979733,
            "volume_molar": 8.198894958488392,
            "formula_full": "Sm12 Sb12 W8 N48",
            "formula_reduced": "Sm3Sb3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.460900664706102,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350588",
            "created_at": "2022-09-04T15:47:19.450714Z",
            "updated_at": "2022-09-04T15:47:19.450730Z",
            "structure_string": "Pr12 Re12 Mo8 N48\n1.0\n-6.482651 6.482651 6.482651\n6.482651 -6.482651 6.482651\n6.482651 6.482651 -6.482651\nMo N Pr Re\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500001 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500001 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500001 Mo\n0.500001 0.500001 0.500001 Mo\n0.315579 0.898326 0.010956 N\n0.195378 0.112631 0.010957 N\n0.887370 0.398326 0.082747 N\n0.695378 0.684421 0.082747 N\n0.612631 0.417253 0.101674 N\n0.989044 0.684421 0.101674 N\n0.601674 0.917253 0.112630 N\n0.010957 0.195378 0.112631 N\n0.195377 0.582747 0.184421 N\n0.489044 0.601674 0.184421 N\n0.582747 0.184421 0.195377 N\n0.112631 0.010957 0.195378 N\n0.489044 0.387370 0.304623 N\n0.315579 0.917254 0.304623 N\n0.917254 0.304623 0.315579 N\n0.898326 0.010956 0.315579 N\n0.304623 0.489044 0.387370 N\n0.582747 0.898327 0.387370 N\n0.082747 0.887370 0.398326 N\n0.815580 0.510957 0.398327 N\n0.101674 0.612631 0.417253 N\n0.815579 0.804623 0.417253 N\n0.387370 0.304623 0.489044 N\n0.601674 0.184421 0.489044 N\n0.612630 0.695377 0.510956 N\n0.398327 0.815580 0.510957 N\n0.184421 0.195377 0.582747 N\n0.898327 0.387370 0.582747 N\n0.917253 0.112630 0.601674 N\n0.184421 0.489044 0.601674 N\n0.695377 0.510956 0.612630 N\n0.417253 0.101674 0.612631 N\n0.082747 0.695378 0.684421 N\n0.101674 0.989044 0.684421 N\n0.510956 0.612630 0.695377 N\n0.684421 0.082747 0.695378 N\n0.417253 0.815579 0.804623 N\n0.887371 0.989044 0.804624 N\n0.804623 0.417253 0.815579 N\n0.510957 0.398327 0.815580 N\n0.398326 0.082747 0.887370 N\n0.989044 0.804624 0.887371 N\n0.010956 0.315579 0.898326 N\n0.387370 0.582747 0.898327 N\n0.112630 0.601674 0.917253 N\n0.304623 0.315579 0.917254 N\n0.684421 0.101674 0.989044 N\n0.804624 0.887371 0.989044 N\n0.250000 0.375000 0.125000 Pr\n0.375000 0.750000 0.125001 Pr\n0.375000 0.125000 0.250000 Pr\n0.875000 0.625000 0.250000 Pr\n0.750000 0.125001 0.375000 Pr\n0.125000 0.250000 0.375000 Pr\n0.250000 0.875000 0.625000 Pr\n0.875000 0.750000 0.625000 Pr\n0.125001 0.375000 0.750000 Pr\n0.625000 0.875000 0.750000 Pr\n0.625000 0.250000 0.875000 Pr\n0.750000 0.625000 0.875000 Pr\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.125000 0.875000 0.250000 Re\n0.625000 0.375000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.750000 0.375000 0.625000 Re\n0.375000 0.250000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.125000 0.750000 0.875000 Re\n0.250000 0.125000 0.875000 Re\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "N",
                "Pr",
                "Re"
            ],
            "chemical_system": "Mo-N-Pr-Re",
            "density": 8.175578744137626,
            "density_atomic": 0.07341284773836036,
            "volume": 1089.7275131611284,
            "volume_molar": 8.203115592876335,
            "formula_full": "Pr12 Re12 Mo8 N48",
            "formula_reduced": "Pr3Re3(MoN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.678867367331104,
            "spacegroup": 230
        },
        {
            "id": "oqmd-678057",
            "created_at": "2022-09-04T15:16:49.904729Z",
            "updated_at": "2022-09-04T15:16:49.904760Z",
            "structure_string": "Li12 Ti8 Nb12 O48\n1.0\n5.787723 5.787723 5.787723\n-5.787723 5.787723 -5.787723\n-5.787723 -5.787723 5.787723\nLi Nb O Ti\n12 12 48 8\ndirect\n0.750000 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.125000 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.375000 0.250000 0.125000 Nb\n0.250000 0.875000 0.125000 Nb\n0.875000 0.125000 0.250000 Nb\n0.375000 0.625000 0.250000 Nb\n0.750000 0.625000 0.375000 Nb\n0.125000 0.750000 0.375000 Nb\n0.875000 0.250000 0.625000 Nb\n0.250000 0.375000 0.625000 Nb\n0.625000 0.375000 0.750000 Nb\n0.125000 0.875000 0.750000 Nb\n0.750000 0.125000 0.875000 Nb\n0.625000 0.750000 0.875000 Nb\n0.320888 0.413373 0.042879 O\n0.221991 0.629506 0.042879 O\n0.957122 0.179113 0.086626 O\n0.629506 0.907514 0.086627 O\n0.721991 0.179113 0.092485 O\n0.870494 0.913373 0.092485 O\n0.586627 0.407514 0.129506 O\n0.042879 0.721991 0.129506 O\n0.457121 0.086627 0.179113 O\n0.221991 0.092485 0.179113 O\n0.129506 0.542878 0.221991 O\n0.592486 0.679113 0.221991 O\n0.320887 0.407514 0.278008 O\n0.457122 0.870495 0.278009 O\n0.907514 0.778008 0.320887 O\n0.913373 0.542878 0.320888 O\n0.592485 0.413372 0.370494 O\n0.278008 0.957122 0.370495 O\n0.086627 0.129506 0.407514 O\n0.820888 0.278009 0.407514 O\n0.820888 0.042879 0.413373 O\n0.092485 0.370495 0.413373 O\n0.586627 0.679113 0.457121 O\n0.370495 0.778009 0.457121 O\n0.629506 0.221991 0.542878 O\n0.413372 0.320887 0.542878 O\n0.907514 0.629506 0.586627 O\n0.179113 0.957121 0.586627 O\n0.179113 0.721991 0.592485 O\n0.913373 0.870494 0.592485 O\n0.721991 0.042879 0.629506 O\n0.407514 0.586627 0.629506 O\n0.092485 0.221991 0.679113 O\n0.086627 0.457122 0.679113 O\n0.542878 0.129506 0.721991 O\n0.679113 0.592485 0.721991 O\n0.407514 0.320888 0.778009 O\n0.870494 0.457121 0.778009 O\n0.778009 0.907514 0.820888 O\n0.542878 0.913373 0.820888 O\n0.957122 0.278008 0.870494 O\n0.413373 0.592486 0.870495 O\n0.129505 0.086626 0.907514 O\n0.278008 0.820887 0.907514 O\n0.370495 0.092485 0.913373 O\n0.042879 0.820888 0.913373 O\n0.778008 0.370494 0.957121 O\n0.679113 0.586627 0.957122 O\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Nb",
                "O",
                "Ti"
            ],
            "chemical_system": "Li-Nb-O-Ti",
            "density": 5.029941297901915,
            "density_atomic": 0.1031589190498321,
            "volume": 775.5025036793483,
            "volume_molar": 5.837731546111817,
            "formula_full": "Li12 Ti8 Nb12 O48",
            "formula_reduced": "Li3Ti2Nb3O12",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.64827211190588,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350553",
            "created_at": "2022-09-04T15:46:57.834541Z",
            "updated_at": "2022-09-04T15:46:57.834553Z",
            "structure_string": "La12 Re8 Sb12 N48\n1.0\n-6.562209 6.562209 6.562209\n6.562209 -6.562209 6.562209\n6.562209 6.562209 -6.562209\nLa N Re Sb\n12 48 8 12\ndirect\n0.250000 0.374999 0.125000 La\n0.375000 0.750000 0.125000 La\n0.374999 0.125000 0.250000 La\n0.875000 0.625000 0.250000 La\n0.125000 0.250000 0.374999 La\n0.750000 0.125000 0.375000 La\n0.250000 0.875000 0.625000 La\n0.875000 0.750000 0.625000 La\n0.125000 0.375000 0.750000 La\n0.625000 0.875000 0.750000 La\n0.625000 0.250000 0.875000 La\n0.750000 0.625000 0.875000 La\n0.330037 0.909792 0.023318 N\n0.193281 0.113526 0.023318 N\n0.693281 0.669963 0.079755 N\n0.886474 0.409793 0.079756 N\n0.976681 0.669962 0.090207 N\n0.613526 0.420245 0.090207 N\n0.590207 0.920244 0.113525 N\n0.023318 0.193281 0.113526 N\n0.193280 0.579755 0.169963 N\n0.476682 0.590208 0.169963 N\n0.579755 0.169963 0.193280 N\n0.113526 0.023318 0.193281 N\n0.476682 0.386475 0.306719 N\n0.330037 0.920245 0.306719 N\n0.909792 0.023318 0.330037 N\n0.920245 0.306719 0.330037 N\n0.579755 0.909793 0.386474 N\n0.306719 0.476682 0.386475 N\n0.079756 0.886474 0.409793 N\n0.830038 0.523318 0.409793 N\n0.830037 0.806718 0.420244 N\n0.090207 0.613526 0.420245 N\n0.590208 0.169963 0.476682 N\n0.386475 0.306719 0.476682 N\n0.613525 0.693280 0.523318 N\n0.409793 0.830038 0.523318 N\n0.169963 0.193280 0.579755 N\n0.909793 0.386474 0.579755 N\n0.920244 0.113525 0.590207 N\n0.169963 0.476682 0.590208 N\n0.693280 0.523318 0.613525 N\n0.420245 0.090207 0.613526 N\n0.090207 0.976681 0.669962 N\n0.079755 0.693281 0.669963 N\n0.523318 0.613525 0.693280 N\n0.669963 0.079755 0.693281 N\n0.420244 0.830037 0.806718 N\n0.886474 0.976682 0.806719 N\n0.806718 0.420244 0.830037 N\n0.523318 0.409793 0.830038 N\n0.409793 0.079756 0.886474 N\n0.976682 0.806719 0.886474 N\n0.023318 0.330037 0.909792 N\n0.386474 0.579755 0.909793 N\n0.113525 0.590207 0.920244 N\n0.306719 0.330037 0.920245 N\n0.669962 0.090207 0.976681 N\n0.806719 0.886474 0.976682 N\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.750000 0.875000 0.125000 Sb\n0.875000 0.250000 0.125001 Sb\n0.625000 0.375000 0.250000 Sb\n0.125001 0.875000 0.250000 Sb\n0.625000 0.750000 0.374999 Sb\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.750000 0.374999 0.625000 Sb\n0.875000 0.125000 0.750000 Sb\n0.374999 0.625000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.250000 0.125001 0.875000 Sb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "La",
                "N",
                "Re",
                "Sb"
            ],
            "chemical_system": "La-N-Re-Sb",
            "density": 7.771262624267284,
            "density_atomic": 0.0707749907501248,
            "volume": 1130.342782840405,
            "volume_molar": 8.50885418164379,
            "formula_full": "La12 Re8 Sb12 N48",
            "formula_reduced": "La3Re2(SbN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.312420552081103,
            "spacegroup": 230
        }
    ]
}