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=-spacegroup&page=93",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-spacegroup&page=91",
"results": [
{
"id": "oqmd-675324",
"created_at": "2022-09-04T15:16:19.802134Z",
"updated_at": "2022-09-04T15:16:19.802150Z",
"structure_string": "Li12 Cr12 Mo8 O48\n1.0\n5.822288 5.822288 5.822288\n-5.822288 5.822288 -5.822288\n-5.822288 -5.822288 5.822288\nCr Li Mo O\n12 12 8 48\ndirect\n0.375000 0.250000 0.125000 Cr\n0.250000 0.874999 0.125000 Cr\n0.874999 0.125000 0.250000 Cr\n0.375000 0.624999 0.250000 Cr\n0.749999 0.624999 0.375000 Cr\n0.125000 0.749999 0.375000 Cr\n0.250000 0.375000 0.624999 Cr\n0.875000 0.250000 0.625000 Cr\n0.624999 0.375000 0.749999 Cr\n0.125000 0.875000 0.750000 Cr\n0.624999 0.749999 0.874999 Cr\n0.750000 0.125000 0.875000 Cr\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\n0.624999 0.250000 0.375000 Li\n0.375000 0.749999 0.624999 Li\n0.749999 0.874999 0.624999 Li\n0.375000 0.125000 0.749999 Li\n0.874999 0.624999 0.749999 Li\n0.125000 0.250000 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.000000 0.000000 0.000000 Mo\n0.499999 0.000000 0.000000 Mo\n0.000000 0.499999 0.000000 Mo\n0.499999 0.499999 0.000000 Mo\n0.000000 0.000000 0.499999 Mo\n0.499999 0.000000 0.499999 Mo\n0.000000 0.499999 0.499999 Mo\n0.499999 0.499999 0.499999 Mo\n0.210203 0.632380 0.034237 O\n0.324036 0.401858 0.034238 O\n0.710203 0.175965 0.077823 O\n0.867619 0.901858 0.077823 O\n0.965762 0.175964 0.098142 O\n0.632382 0.922179 0.098144 O\n0.034238 0.710203 0.132381 O\n0.598143 0.422178 0.132381 O\n0.210203 0.077823 0.175965 O\n0.465762 0.098144 0.175965 O\n0.132381 0.534238 0.210203 O\n0.577823 0.675965 0.210203 O\n0.324034 0.422178 0.289797 O\n0.465762 0.867620 0.289798 O\n0.922177 0.789796 0.324034 O\n0.901858 0.534238 0.324036 O\n0.577822 0.401857 0.367618 O\n0.289797 0.965762 0.367619 O\n0.824035 0.034237 0.401858 O\n0.077823 0.367620 0.401858 O\n0.098144 0.132381 0.422178 O\n0.824036 0.289798 0.422178 O\n0.598143 0.675965 0.465762 O\n0.367620 0.789798 0.465762 O\n0.401857 0.324034 0.534238 O\n0.632381 0.210203 0.534238 O\n0.175965 0.710203 0.577822 O\n0.901858 0.867619 0.577822 O\n0.922178 0.632381 0.598143 O\n0.175965 0.965761 0.598143 O\n0.710203 0.034238 0.632380 O\n0.422178 0.598143 0.632380 O\n0.077822 0.210203 0.675965 O\n0.098143 0.465762 0.675965 O\n0.534238 0.132381 0.710203 O\n0.675965 0.577822 0.710203 O\n0.422178 0.324036 0.789798 O\n0.867619 0.465762 0.789798 O\n0.534238 0.901858 0.824035 O\n0.789798 0.922178 0.824036 O\n0.965762 0.289797 0.867619 O\n0.401858 0.577823 0.867620 O\n0.367620 0.077823 0.901858 O\n0.034238 0.824035 0.901858 O\n0.132380 0.098142 0.922178 O\n0.289797 0.824035 0.922179 O\n0.789796 0.367618 0.965761 O\n0.675965 0.598143 0.965762 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Cr",
"Li",
"Mo",
"O"
],
"chemical_system": "Cr-Li-Mo-O",
"density": 4.717221679077792,
"density_atomic": 0.10133254343166546,
"volume": 789.4798382707993,
"volume_molar": 5.942948391560985,
"formula_full": "Li12 Cr12 Mo8 O48",
"formula_reduced": "Li3Cr3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.97136521916614,
"spacegroup": 230
},
{
"id": "oqmd-675385",
"created_at": "2022-09-04T15:16:19.778734Z",
"updated_at": "2022-09-04T15:16:19.778751Z",
"structure_string": "Li12 Ta12 Se8 O48\n1.0\n5.864624 5.864624 5.864624\n-5.864624 5.864624 -5.864624\n-5.864624 -5.864624 5.864624\nLi O Se Ta\n12 48 8 12\ndirect\n0.875000 0.750000 0.124999 Li\n0.750000 0.375001 0.125000 Li\n0.124999 0.374999 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.124999 0.374999 Li\n0.624999 0.250000 0.374999 Li\n0.750000 0.875000 0.624999 Li\n0.374999 0.750000 0.625000 Li\n0.375001 0.125000 0.750000 Li\n0.875000 0.624999 0.750000 Li\n0.124999 0.250001 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.320883 0.413461 0.046957 O\n0.226073 0.633495 0.046957 O\n0.633495 0.907422 0.086538 O\n0.953042 0.179116 0.086538 O\n0.866505 0.913462 0.092578 O\n0.726074 0.179116 0.092579 O\n0.586536 0.407421 0.133495 O\n0.046958 0.726074 0.133495 O\n0.453043 0.086538 0.179116 O\n0.226072 0.092578 0.179116 O\n0.592578 0.679115 0.226072 O\n0.133495 0.546958 0.226073 O\n0.453043 0.866504 0.273926 O\n0.320884 0.407422 0.273927 O\n0.913462 0.546958 0.320883 O\n0.907421 0.773927 0.320884 O\n0.592579 0.413463 0.366505 O\n0.273926 0.953042 0.366505 O\n0.086538 0.133495 0.407422 O\n0.820883 0.273926 0.407422 O\n0.092578 0.366504 0.413461 O\n0.820884 0.046957 0.413462 O\n0.366504 0.773925 0.453042 O\n0.586538 0.679116 0.453043 O\n0.633494 0.226072 0.546957 O\n0.413463 0.320884 0.546958 O\n0.907421 0.633494 0.586536 O\n0.179116 0.953042 0.586537 O\n0.179116 0.726073 0.592579 O\n0.913463 0.866505 0.592579 O\n0.726073 0.046957 0.633495 O\n0.407422 0.586538 0.633495 O\n0.086538 0.453043 0.679115 O\n0.092578 0.226073 0.679116 O\n0.546958 0.133495 0.726073 O\n0.679116 0.592579 0.726074 O\n0.407421 0.320883 0.773925 O\n0.866505 0.453043 0.773927 O\n0.773925 0.907421 0.820883 O\n0.546958 0.913463 0.820884 O\n0.413461 0.592578 0.866504 O\n0.953042 0.273927 0.866505 O\n0.133495 0.086538 0.907421 O\n0.273927 0.820885 0.907422 O\n0.046957 0.820884 0.913462 O\n0.366505 0.092579 0.913463 O\n0.679115 0.586536 0.953042 O\n0.773927 0.366505 0.953042 O\n0.000000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.500001 0.500001 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.500001 0.000000 0.500001 Se\n0.000000 0.500001 0.500001 Se\n0.374999 0.250000 0.124999 Ta\n0.250001 0.875000 0.124999 Ta\n0.374999 0.624999 0.250000 Ta\n0.875000 0.124999 0.250001 Ta\n0.750000 0.625000 0.374999 Ta\n0.125000 0.750000 0.375001 Ta\n0.250000 0.374999 0.624999 Ta\n0.875000 0.250000 0.625000 Ta\n0.124999 0.875000 0.750000 Ta\n0.625000 0.374999 0.750000 Ta\n0.750000 0.124999 0.875000 Ta\n0.624999 0.750000 0.875000 Ta\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Se",
"Ta"
],
"chemical_system": "Li-O-Se-Ta",
"density": 7.520987983019422,
"density_atomic": 0.09915382575523712,
"volume": 806.8271636586302,
"volume_molar": 6.073533435679784,
"formula_full": "Li12 Ta12 Se8 O48",
"formula_reduced": "Li3Ta3(SeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.95638011590225,
"spacegroup": 230
},
{
"id": "oqmd-675341",
"created_at": "2022-09-04T15:16:19.788648Z",
"updated_at": "2022-09-04T15:16:19.788677Z",
"structure_string": "Li12 Gd12 Te8 O48\n1.0\n6.183051 6.183051 6.183051\n-6.183051 6.183051 -6.183051\n-6.183051 -6.183051 6.183051\nGd Li O Te\n12 12 48 8\ndirect\n0.375000 0.250000 0.125001 Gd\n0.250000 0.875000 0.125001 Gd\n0.375000 0.625000 0.250000 Gd\n0.875000 0.125001 0.250000 Gd\n0.124999 0.750000 0.374999 Gd\n0.750000 0.625001 0.375000 Gd\n0.874999 0.250000 0.625000 Gd\n0.250000 0.375000 0.625000 Gd\n0.625001 0.375000 0.750000 Gd\n0.125001 0.875000 0.750000 Gd\n0.750000 0.125001 0.875000 Gd\n0.625000 0.750000 0.875000 Gd\n0.750000 0.374999 0.124999 Li\n0.875000 0.750000 0.125001 Li\n0.125001 0.375000 0.250000 Li\n0.625000 0.874999 0.250000 Li\n0.250000 0.125001 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.750000 0.625001 Li\n0.374999 0.124999 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.250000 0.625000 0.874999 Li\n0.125001 0.250000 0.875000 Li\n0.198796 0.618853 0.026030 O\n0.327234 0.407177 0.026031 O\n0.698796 0.172766 0.079943 O\n0.881146 0.907177 0.079943 O\n0.618853 0.920057 0.092823 O\n0.973971 0.172767 0.092824 O\n0.026030 0.698796 0.118853 O\n0.592824 0.420058 0.118854 O\n0.198797 0.079943 0.172766 O\n0.473970 0.092823 0.172766 O\n0.118853 0.526030 0.198796 O\n0.579943 0.672767 0.198797 O\n0.473970 0.881147 0.301203 O\n0.327234 0.420057 0.301204 O\n0.907176 0.526030 0.327234 O\n0.920058 0.801205 0.327234 O\n0.579943 0.407177 0.381147 O\n0.301204 0.973971 0.381147 O\n0.827233 0.026030 0.407176 O\n0.079943 0.381146 0.407177 O\n0.092823 0.118853 0.420057 O\n0.827234 0.301203 0.420057 O\n0.592823 0.672766 0.473970 O\n0.381146 0.801204 0.473970 O\n0.407177 0.327234 0.526030 O\n0.618854 0.198797 0.526031 O\n0.172766 0.698796 0.579942 O\n0.907176 0.881146 0.579943 O\n0.920058 0.618854 0.592824 O\n0.172766 0.973971 0.592824 O\n0.698796 0.026031 0.618853 O\n0.420057 0.592823 0.618853 O\n0.079943 0.198796 0.672766 O\n0.092823 0.473970 0.672767 O\n0.526030 0.118854 0.698796 O\n0.672766 0.579943 0.698796 O\n0.881146 0.473970 0.801203 O\n0.420058 0.327234 0.801204 O\n0.526030 0.907176 0.827233 O\n0.801204 0.920058 0.827234 O\n0.973970 0.301204 0.881147 O\n0.407177 0.579943 0.881147 O\n0.381146 0.079943 0.907176 O\n0.026031 0.827234 0.907177 O\n0.301204 0.827234 0.920057 O\n0.118854 0.092824 0.920058 O\n0.801205 0.381147 0.973971 O\n0.672767 0.592824 0.973971 O\n0.000000 0.000000 0.000000 Te\n0.499999 0.000000 0.000000 Te\n0.000000 0.499999 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.499999 Te\n0.499999 0.499999 0.499999 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Gd",
"Li",
"O",
"Te"
],
"chemical_system": "Gd-Li-O-Te",
"density": 6.6017678350172115,
"density_atomic": 0.08460996384642472,
"volume": 945.5151185882522,
"volume_molar": 7.117531418558184,
"formula_full": "Li12 Gd12 Te8 O48",
"formula_reduced": "Li3Gd3(TeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.60384193386059,
"spacegroup": 230
},
{
"id": "oqmd-675419",
"created_at": "2022-09-04T15:16:19.789968Z",
"updated_at": "2022-09-04T15:16:19.789986Z",
"structure_string": "Li12 Zr8 Nb12 O48\n1.0\n5.934138 5.934138 5.934138\n-5.934138 5.934138 -5.934138\n-5.934138 -5.934138 5.934138\nLi Nb O Zr\n12 12 48 8\ndirect\n0.875000 0.750000 0.125000 Li\n0.750000 0.375001 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\n0.375001 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 0.375001 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\n0.625000 0.750000 0.875000 Nb\n0.750000 0.125000 0.875000 Nb\n0.229398 0.633482 0.046025 O\n0.316628 0.412543 0.046026 O\n0.953974 0.183372 0.087457 O\n0.633482 0.904084 0.087457 O\n0.866518 0.912544 0.095915 O\n0.729398 0.183373 0.095916 O\n0.587457 0.404085 0.133483 O\n0.046026 0.729398 0.133483 O\n0.453974 0.087457 0.183372 O\n0.229398 0.095915 0.183372 O\n0.133482 0.546025 0.229398 O\n0.595916 0.683372 0.229398 O\n0.316627 0.404084 0.270602 O\n0.453974 0.866518 0.270602 O\n0.904084 0.770602 0.316627 O\n0.912544 0.546026 0.316628 O\n0.595916 0.412543 0.366517 O\n0.270602 0.953974 0.366517 O\n0.087457 0.133482 0.404084 O\n0.816627 0.270602 0.404084 O\n0.816627 0.046025 0.412543 O\n0.095915 0.366517 0.412543 O\n0.587457 0.683372 0.453974 O\n0.366517 0.770602 0.453974 O\n0.633482 0.229398 0.546025 O\n0.412543 0.316627 0.546025 O\n0.183372 0.953974 0.587457 O\n0.904084 0.633482 0.587457 O\n0.183372 0.729398 0.595916 O\n0.912544 0.866518 0.595916 O\n0.404084 0.587457 0.633482 O\n0.729398 0.046026 0.633483 O\n0.095915 0.229398 0.683372 O\n0.087457 0.453974 0.683372 O\n0.546026 0.133483 0.729398 O\n0.683372 0.595916 0.729398 O\n0.404085 0.316628 0.770602 O\n0.866518 0.453974 0.770602 O\n0.770602 0.904084 0.816627 O\n0.546025 0.912544 0.816627 O\n0.953974 0.270602 0.866518 O\n0.412543 0.595916 0.866518 O\n0.133482 0.087457 0.904084 O\n0.270602 0.816627 0.904084 O\n0.366518 0.095916 0.912544 O\n0.046026 0.816628 0.912544 O\n0.770602 0.366517 0.953974 O\n0.683372 0.587457 0.953974 O\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Nb",
"O",
"Zr"
],
"chemical_system": "Li-Nb-O-Zr",
"density": 5.355808941613841,
"density_atomic": 0.09570994583694142,
"volume": 835.8587950336316,
"volume_molar": 6.292074148970649,
"formula_full": "Li12 Zr8 Nb12 O48",
"formula_reduced": "Li3Zr2Nb3O12",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.66940006527725,
"spacegroup": 230
},
{
"id": "oqmd-675400",
"created_at": "2022-09-04T15:16:19.912000Z",
"updated_at": "2022-09-04T15:16:19.912034Z",
"structure_string": "Li12 Y12 Se8 O48\n1.0\n6.016957 6.016957 6.016957\n-6.016957 6.016957 -6.016957\n-6.016957 -6.016957 6.016957\nLi O Se Y\n12 48 8 12\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\n0.331716 0.408167 0.021728 O\n0.190011 0.613560 0.021728 O\n0.690012 0.168284 0.076451 O\n0.886440 0.908168 0.076451 O\n0.978273 0.168284 0.091833 O\n0.613560 0.923548 0.091833 O\n0.591832 0.423549 0.113560 O\n0.021728 0.690012 0.113560 O\n0.190011 0.076451 0.168284 O\n0.478273 0.091833 0.168284 O\n0.576452 0.668284 0.190011 O\n0.113561 0.521728 0.190012 O\n0.331716 0.423549 0.309988 O\n0.478273 0.886440 0.309988 O\n0.908167 0.521727 0.331716 O\n0.923549 0.809988 0.331716 O\n0.576452 0.408167 0.386440 O\n0.309989 0.978273 0.386440 O\n0.831716 0.021728 0.408167 O\n0.076451 0.386440 0.408167 O\n0.091833 0.113561 0.423549 O\n0.831716 0.309988 0.423549 O\n0.591832 0.668284 0.478273 O\n0.386440 0.809988 0.478273 O\n0.613560 0.190011 0.521728 O\n0.408167 0.331716 0.521728 O\n0.168284 0.690011 0.576451 O\n0.908168 0.886440 0.576452 O\n0.923549 0.613560 0.591832 O\n0.168284 0.978273 0.591833 O\n0.690012 0.021728 0.613560 O\n0.423549 0.591832 0.613560 O\n0.076451 0.190011 0.668284 O\n0.091832 0.478273 0.668284 O\n0.521727 0.113560 0.690011 O\n0.668284 0.576452 0.690012 O\n0.423549 0.331716 0.809988 O\n0.886440 0.478273 0.809988 O\n0.521728 0.908168 0.831716 O\n0.809988 0.923549 0.831716 O\n0.978273 0.309988 0.886440 O\n0.408167 0.576452 0.886440 O\n0.386440 0.076451 0.908168 O\n0.021728 0.831716 0.908168 O\n0.309988 0.831715 0.923548 O\n0.113561 0.091833 0.923549 O\n0.809988 0.386440 0.978273 O\n0.668284 0.591832 0.978273 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\n0.375000 0.250000 0.125000 Y\n0.250000 0.875000 0.125000 Y\n0.875000 0.125000 0.250000 Y\n0.375000 0.625000 0.250000 Y\n0.750000 0.625000 0.375000 Y\n0.125000 0.750000 0.375000 Y\n0.875000 0.250000 0.625000 Y\n0.250000 0.375000 0.625000 Y\n0.125000 0.875000 0.750000 Y\n0.625000 0.375000 0.750000 Y\n0.750000 0.125000 0.875000 Y\n0.625000 0.750000 0.875000 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Se",
"Y"
],
"chemical_system": "Li-O-Se-Y",
"density": 4.859222458109882,
"density_atomic": 0.09181196282678113,
"volume": 871.3461463723806,
"volume_molar": 6.5592114301725495,
"formula_full": "Li12 Y12 Se8 O48",
"formula_reduced": "Li3Y3(SeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.37309441690225,
"spacegroup": 230
},
{
"id": "oqmd-675414",
"created_at": "2022-09-04T15:16:19.921109Z",
"updated_at": "2022-09-04T15:16:19.921125Z",
"structure_string": "Li12 Mo12 Pb8 O48\n1.0\n6.057304 6.057304 6.057304\n-6.057304 6.057304 -6.057304\n-6.057304 -6.057304 6.057304\nLi Mo O Pb\n12 12 48 8\ndirect\n0.749999 0.374999 0.124999 Li\n0.875001 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 0.749999 0.625000 Li\n0.749999 0.875000 0.625000 Li\n0.374999 0.124999 0.749999 Li\n0.875000 0.625000 0.749999 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.375000 0.250000 0.125000 Mo\n0.250000 0.875000 0.125000 Mo\n0.875000 0.125000 0.250000 Mo\n0.375000 0.625000 0.250000 Mo\n0.124999 0.749999 0.374999 Mo\n0.749999 0.625000 0.375000 Mo\n0.875000 0.250000 0.625000 Mo\n0.250000 0.375000 0.625000 Mo\n0.625000 0.375000 0.749999 Mo\n0.125000 0.875001 0.750000 Mo\n0.625000 0.749999 0.875000 Mo\n0.750000 0.125000 0.875001 Mo\n0.319460 0.411894 0.052590 O\n0.233131 0.640697 0.052591 O\n0.947410 0.180540 0.088106 O\n0.640697 0.907565 0.088106 O\n0.733131 0.180540 0.092434 O\n0.859304 0.911894 0.092435 O\n0.588106 0.407566 0.140696 O\n0.052590 0.733131 0.140696 O\n0.447409 0.088106 0.180541 O\n0.233131 0.092435 0.180541 O\n0.140697 0.552591 0.233131 O\n0.592434 0.680540 0.233131 O\n0.319460 0.407566 0.266869 O\n0.447409 0.859304 0.266870 O\n0.911894 0.552590 0.319460 O\n0.907566 0.766869 0.319460 O\n0.592434 0.411894 0.359303 O\n0.266870 0.947410 0.359303 O\n0.819460 0.266870 0.407566 O\n0.088106 0.140697 0.407566 O\n0.819460 0.052591 0.411894 O\n0.092435 0.359304 0.411894 O\n0.588106 0.680540 0.447409 O\n0.359304 0.766870 0.447410 O\n0.640697 0.233131 0.552591 O\n0.411894 0.319460 0.552591 O\n0.907566 0.640697 0.588106 O\n0.180541 0.947410 0.588106 O\n0.180541 0.733131 0.592434 O\n0.911894 0.859304 0.592434 O\n0.733131 0.052590 0.640696 O\n0.407566 0.588106 0.640697 O\n0.092435 0.233131 0.680540 O\n0.088106 0.447409 0.680540 O\n0.552590 0.140696 0.733131 O\n0.680540 0.592434 0.733131 O\n0.859304 0.447409 0.766869 O\n0.407566 0.319460 0.766870 O\n0.766870 0.907566 0.819460 O\n0.552591 0.911894 0.819460 O\n0.947409 0.266869 0.859303 O\n0.411894 0.592434 0.859304 O\n0.266869 0.819459 0.907565 O\n0.140696 0.088106 0.907566 O\n0.359303 0.092434 0.911894 O\n0.052590 0.819459 0.911894 O\n0.766869 0.359303 0.947410 O\n0.680540 0.588106 0.947410 O\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mo",
"O",
"Pb"
],
"chemical_system": "Li-Mo-O-Pb",
"density": 6.836740130722342,
"density_atomic": 0.08998950952734056,
"volume": 888.9925105736291,
"volume_molar": 6.69204754157523,
"formula_full": "Li12 Mo12 Pb8 O48",
"formula_reduced": "Li3Mo3(PbO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.56497000190225,
"spacegroup": 230
},
{
"id": "oqmd-675405",
"created_at": "2022-09-04T15:16:20.076638Z",
"updated_at": "2022-09-04T15:16:20.076676Z",
"structure_string": "Li12 Yb12 Se8 O48\n1.0\n6.027816 6.027816 6.027816\n-6.027816 6.027816 -6.027816\n-6.027816 -6.027816 6.027816\nLi O Se Yb\n12 48 8 12\ndirect\n0.874999 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 0.624999 Li\n0.750000 0.874999 0.625000 Li\n0.375000 0.125001 0.750000 Li\n0.874999 0.625000 0.750000 Li\n0.125000 0.249999 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.333663 0.410284 0.020584 O\n0.186920 0.610300 0.020584 O\n0.889701 0.910285 0.076621 O\n0.686921 0.166336 0.076621 O\n0.610299 0.923379 0.089716 O\n0.979415 0.166336 0.089716 O\n0.589715 0.423379 0.110299 O\n0.020585 0.686921 0.110300 O\n0.479416 0.089716 0.166336 O\n0.186920 0.076621 0.166336 O\n0.576620 0.666336 0.186920 O\n0.110299 0.520585 0.186921 O\n0.479416 0.889700 0.313079 O\n0.333664 0.423380 0.313080 O\n0.910284 0.520584 0.333663 O\n0.923379 0.813080 0.333664 O\n0.576621 0.410285 0.389700 O\n0.313079 0.979415 0.389700 O\n0.076621 0.389700 0.410284 O\n0.833664 0.020584 0.410285 O\n0.089716 0.110299 0.423380 O\n0.833663 0.313079 0.423380 O\n0.589716 0.666336 0.479416 O\n0.389700 0.813079 0.479416 O\n0.610300 0.186920 0.520584 O\n0.410285 0.333664 0.520585 O\n0.166336 0.686920 0.576621 O\n0.910286 0.889700 0.576621 O\n0.923379 0.610300 0.589715 O\n0.166336 0.979415 0.589715 O\n0.686920 0.020584 0.610299 O\n0.423380 0.589716 0.610300 O\n0.076620 0.186920 0.666336 O\n0.089716 0.479416 0.666336 O\n0.520584 0.110299 0.686920 O\n0.666336 0.576621 0.686921 O\n0.423379 0.333663 0.813079 O\n0.889700 0.479416 0.813081 O\n0.813079 0.923379 0.833663 O\n0.520585 0.910286 0.833664 O\n0.410284 0.576620 0.889700 O\n0.979416 0.313080 0.889700 O\n0.020584 0.833664 0.910285 O\n0.389701 0.076621 0.910286 O\n0.313080 0.833663 0.923379 O\n0.110300 0.089716 0.923379 O\n0.813080 0.389700 0.979415 O\n0.666336 0.589715 0.979415 O\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.500000 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.375000 0.250000 0.125000 Yb\n0.249999 0.874999 0.125000 Yb\n0.874999 0.125000 0.249999 Yb\n0.375000 0.625000 0.250000 Yb\n0.750000 0.624999 0.375000 Yb\n0.125001 0.750000 0.375000 Yb\n0.875000 0.250000 0.625000 Yb\n0.250000 0.375000 0.625000 Yb\n0.624999 0.375000 0.750000 Yb\n0.125000 0.874999 0.750000 Yb\n0.750000 0.125000 0.874999 Yb\n0.625000 0.750000 0.874999 Yb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Se",
"Yb"
],
"chemical_system": "Li-O-Se-Yb",
"density": 6.74665918940556,
"density_atomic": 0.09131666346926864,
"volume": 876.0723066379105,
"volume_molar": 6.594788433139225,
"formula_full": "Li12 Yb12 Se8 O48",
"formula_reduced": "Li3Yb3(SeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.95661059490225,
"spacegroup": 230
},
{
"id": "oqmd-675449",
"created_at": "2022-09-04T15:16:19.950370Z",
"updated_at": "2022-09-04T15:16:19.950394Z",
"structure_string": "Li12 Ta8 Cu12 O48\n1.0\n5.884606 5.884606 5.884606\n-5.884606 5.884606 -5.884606\n-5.884606 -5.884606 5.884606\nCu Li O Ta\n12 12 48 8\ndirect\n0.375000 0.250000 0.125001 Cu\n0.250000 0.875000 0.125001 Cu\n0.875000 0.125001 0.250000 Cu\n0.375000 0.625000 0.250000 Cu\n0.124999 0.749999 0.374999 Cu\n0.749999 0.625000 0.375000 Cu\n0.875000 0.250000 0.625000 Cu\n0.250000 0.375000 0.625000 Cu\n0.625000 0.375000 0.749999 Cu\n0.125001 0.875001 0.750000 Cu\n0.625000 0.749999 0.875000 Cu\n0.750000 0.125001 0.875001 Cu\n0.749999 0.374999 0.124999 Li\n0.875001 0.750000 0.125001 Li\n0.125001 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125001 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.749999 0.625000 Li\n0.749999 0.875000 0.625000 Li\n0.374999 0.124999 0.749999 Li\n0.875000 0.625000 0.749999 Li\n0.125001 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.319667 0.438582 0.044988 O\n0.225320 0.606405 0.044988 O\n0.955012 0.180333 0.061418 O\n0.606407 0.881086 0.061418 O\n0.561417 0.381085 0.106406 O\n0.044989 0.725320 0.106406 O\n0.893594 0.938582 0.118915 O\n0.725320 0.180332 0.118915 O\n0.455012 0.061418 0.180332 O\n0.225320 0.118915 0.180332 O\n0.618915 0.680333 0.225320 O\n0.106406 0.544988 0.225321 O\n0.319667 0.381085 0.274679 O\n0.455013 0.893594 0.274679 O\n0.938582 0.544988 0.319667 O\n0.881085 0.774679 0.319667 O\n0.061418 0.106406 0.381085 O\n0.819667 0.274679 0.381085 O\n0.618915 0.438582 0.393594 O\n0.274679 0.955012 0.393595 O\n0.118915 0.393594 0.438582 O\n0.819668 0.044988 0.438582 O\n0.561417 0.680332 0.455012 O\n0.393594 0.774679 0.455012 O\n0.606405 0.225320 0.544987 O\n0.438582 0.319667 0.544988 O\n0.881085 0.606405 0.561417 O\n0.180332 0.955011 0.561417 O\n0.381085 0.561417 0.606405 O\n0.725320 0.044988 0.606406 O\n0.180332 0.725320 0.618915 O\n0.938583 0.893594 0.618915 O\n0.118915 0.225320 0.680332 O\n0.061418 0.455013 0.680333 O\n0.544988 0.106406 0.725320 O\n0.680332 0.618915 0.725320 O\n0.381085 0.319667 0.774679 O\n0.893594 0.455012 0.774680 O\n0.774679 0.881085 0.819667 O\n0.544988 0.938583 0.819668 O\n0.106406 0.061418 0.881085 O\n0.274679 0.819668 0.881086 O\n0.955012 0.274679 0.893594 O\n0.438582 0.618915 0.893594 O\n0.044988 0.819668 0.938582 O\n0.393595 0.118915 0.938583 O\n0.774679 0.393594 0.955011 O\n0.680333 0.561417 0.955012 O\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Cu",
"Li",
"O",
"Ta"
],
"chemical_system": "Cu-Li-O-Ta",
"density": 6.236727423270893,
"density_atomic": 0.09814717980021787,
"volume": 815.1023815747217,
"volume_molar": 6.135826594567756,
"formula_full": "Li12 Ta8 Cu12 O48",
"formula_reduced": "Li3Ta2(CuO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.5034132181553,
"spacegroup": 230
},
{
"id": "oqmd-675425",
"created_at": "2022-09-04T15:16:19.968626Z",
"updated_at": "2022-09-04T15:16:19.968647Z",
"structure_string": "Li12 Hf8 V12 O48\n1.0\n5.785321 5.785321 5.785321\n-5.785321 5.785321 -5.785321\n-5.785321 -5.785321 5.785321\nHf Li O V\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.500000 Hf\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\n0.315572 0.419085 0.049155 O\n0.233583 0.630071 0.049155 O\n0.950845 0.184428 0.080915 O\n0.630071 0.896488 0.080915 O\n0.733582 0.184427 0.103512 O\n0.869930 0.919085 0.103513 O\n0.580915 0.396487 0.130070 O\n0.049155 0.733582 0.130070 O\n0.450845 0.080915 0.184428 O\n0.233583 0.103513 0.184428 O\n0.130071 0.549155 0.233583 O\n0.603513 0.684428 0.233583 O\n0.315573 0.396488 0.266417 O\n0.450845 0.869930 0.266417 O\n0.919085 0.549155 0.315572 O\n0.896488 0.766417 0.315573 O\n0.603513 0.419085 0.369930 O\n0.266417 0.950845 0.369930 O\n0.080915 0.130071 0.396488 O\n0.815573 0.266417 0.396488 O\n0.815573 0.049155 0.419085 O\n0.103513 0.369930 0.419085 O\n0.580915 0.684428 0.450845 O\n0.369930 0.766417 0.450845 O\n0.630071 0.233583 0.549155 O\n0.419085 0.315573 0.549155 O\n0.896488 0.630071 0.580915 O\n0.184428 0.950845 0.580915 O\n0.184428 0.733582 0.603513 O\n0.919085 0.869930 0.603513 O\n0.733582 0.049155 0.630070 O\n0.396488 0.580915 0.630071 O\n0.103513 0.233583 0.684428 O\n0.080915 0.450845 0.684428 O\n0.549155 0.130070 0.733582 O\n0.684428 0.603513 0.733582 O\n0.396487 0.315572 0.766417 O\n0.869930 0.450845 0.766417 O\n0.766417 0.896488 0.815573 O\n0.549155 0.919085 0.815573 O\n0.950845 0.266417 0.869930 O\n0.419085 0.603513 0.869930 O\n0.130071 0.080915 0.896488 O\n0.266417 0.815573 0.896488 O\n0.369929 0.103512 0.919085 O\n0.049155 0.815572 0.919085 O\n0.766417 0.369930 0.950845 O\n0.684428 0.580915 0.950845 O\n0.375000 0.250000 0.125000 V\n0.250000 0.875000 0.125000 V\n0.875000 0.125000 0.250000 V\n0.375000 0.625000 0.250000 V\n0.750000 0.625000 0.375000 V\n0.125000 0.750000 0.375000 V\n0.875000 0.250000 0.625000 V\n0.250000 0.375000 0.625000 V\n0.625000 0.375000 0.750000 V\n0.125000 0.875000 0.750000 V\n0.750000 0.125000 0.875000 V\n0.625000 0.750000 0.875000 V\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Hf",
"Li",
"O",
"V"
],
"chemical_system": "Hf-Li-O-V",
"density": 6.196934024548346,
"density_atomic": 0.10328746366289465,
"volume": 774.5373655519385,
"volume_molar": 5.830466299041686,
"formula_full": "Li12 Hf8 V12 O48",
"formula_reduced": "Li3Hf2V3O12",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.37928980706994,
"spacegroup": 230
},
{
"id": "oqmd-675410",
"created_at": "2022-09-04T15:16:20.106403Z",
"updated_at": "2022-09-04T15:16:20.106430Z",
"structure_string": "Li12 Cr12 Pb8 O48\n1.0\n5.930475 5.930475 5.930475\n-5.930475 5.930475 -5.930475\n-5.930475 -5.930475 5.930475\nCr Li O Pb\n12 12 48 8\ndirect\n0.375000 0.250000 0.125000 Cr\n0.250000 0.875001 0.125000 Cr\n0.875001 0.125000 0.250000 Cr\n0.375000 0.625000 0.250000 Cr\n0.750001 0.625000 0.375000 Cr\n0.125000 0.750001 0.375000 Cr\n0.875000 0.250000 0.625000 Cr\n0.250000 0.375000 0.625000 Cr\n0.125000 0.875000 0.750000 Cr\n0.625000 0.375000 0.750001 Cr\n0.750000 0.125000 0.875000 Cr\n0.625000 0.750001 0.875001 Cr\n0.750001 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 0.750001 0.625000 Li\n0.750001 0.875001 0.625000 Li\n0.375000 0.125000 0.750001 Li\n0.875001 0.625000 0.750001 Li\n0.250000 0.625000 0.875000 Li\n0.125000 0.250000 0.875001 Li\n0.313736 0.417441 0.054161 O\n0.240424 0.636720 0.054161 O\n0.945840 0.186264 0.082559 O\n0.636720 0.896295 0.082559 O\n0.740424 0.186263 0.103704 O\n0.863281 0.917442 0.103705 O\n0.582559 0.396295 0.136719 O\n0.054160 0.740424 0.136719 O\n0.240424 0.103705 0.186263 O\n0.445839 0.082559 0.186264 O\n0.136720 0.554160 0.240424 O\n0.603705 0.686264 0.240424 O\n0.313736 0.396295 0.259575 O\n0.445839 0.863281 0.259575 O\n0.917441 0.554160 0.313736 O\n0.896296 0.759576 0.313736 O\n0.603705 0.417440 0.363280 O\n0.259576 0.945840 0.363281 O\n0.813736 0.259575 0.396295 O\n0.082559 0.136720 0.396295 O\n0.813737 0.054161 0.417441 O\n0.103705 0.363280 0.417441 O\n0.582559 0.686264 0.445839 O\n0.363280 0.759576 0.445839 O\n0.636719 0.240424 0.554160 O\n0.417440 0.313736 0.554160 O\n0.896295 0.636719 0.582559 O\n0.186264 0.945840 0.582560 O\n0.186263 0.740424 0.603705 O\n0.917441 0.863281 0.603705 O\n0.740425 0.054161 0.636720 O\n0.396295 0.582559 0.636720 O\n0.103705 0.240424 0.686264 O\n0.082558 0.445839 0.686264 O\n0.554160 0.136719 0.740424 O\n0.686264 0.603705 0.740424 O\n0.396295 0.313736 0.759576 O\n0.863281 0.445839 0.759576 O\n0.759576 0.896295 0.813736 O\n0.554160 0.917441 0.813737 O\n0.945839 0.259575 0.863280 O\n0.417441 0.603705 0.863281 O\n0.259575 0.813736 0.896295 O\n0.136719 0.082559 0.896295 O\n0.363280 0.103704 0.917441 O\n0.054161 0.813737 0.917442 O\n0.759576 0.363280 0.945840 O\n0.686264 0.582559 0.945840 O\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Cr",
"Li",
"O",
"Pb"
],
"chemical_system": "Cr-Li-O-Pb",
"density": 6.235274985934474,
"density_atomic": 0.09588740318285055,
"volume": 834.3118839859039,
"volume_molar": 6.280429503879878,
"formula_full": "Li12 Cr12 Pb8 O48",
"formula_reduced": "Li3Cr3(PbO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.43623410179114,
"spacegroup": 230
},
{
"id": "oqmd-675468",
"created_at": "2022-09-04T15:16:20.179696Z",
"updated_at": "2022-09-04T15:16:20.179737Z",
"structure_string": "Li12 Ti12 Bi8 O48\n1.0\n5.933474 5.933474 5.933474\n-5.933474 5.933474 -5.933474\n-5.933474 -5.933474 5.933474\nBi Li O Ti\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\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\n0.625000 0.250000 0.375000 Li\n0.250000 0.125000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.874999 0.625000 Li\n0.375000 0.125000 0.750000 Li\n0.874999 0.625000 0.750000 Li\n0.124999 0.249999 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.315362 0.416158 0.052713 O\n0.237350 0.636555 0.052713 O\n0.636555 0.899205 0.083841 O\n0.947287 0.184637 0.083842 O\n0.737350 0.184637 0.100795 O\n0.863446 0.916159 0.100796 O\n0.583842 0.399205 0.136554 O\n0.052713 0.737350 0.136555 O\n0.447287 0.083841 0.184636 O\n0.237350 0.100796 0.184637 O\n0.136554 0.552712 0.237349 O\n0.600796 0.684637 0.237350 O\n0.447287 0.863445 0.262650 O\n0.315363 0.399205 0.262651 O\n0.916158 0.552712 0.315362 O\n0.899204 0.762650 0.315363 O\n0.600795 0.416158 0.363446 O\n0.262651 0.947287 0.363446 O\n0.083841 0.136554 0.399205 O\n0.815364 0.262650 0.399205 O\n0.815363 0.052713 0.416158 O\n0.100796 0.363446 0.416158 O\n0.583842 0.684637 0.447287 O\n0.363446 0.762650 0.447288 O\n0.416158 0.315363 0.552712 O\n0.636555 0.237350 0.552714 O\n0.184636 0.947286 0.583841 O\n0.899206 0.636555 0.583842 O\n0.916158 0.863445 0.600795 O\n0.184637 0.737350 0.600796 O\n0.737350 0.052713 0.636554 O\n0.399205 0.583842 0.636555 O\n0.100795 0.237350 0.684637 O\n0.083841 0.447287 0.684637 O\n0.552712 0.136554 0.737350 O\n0.684637 0.600795 0.737350 O\n0.399205 0.315362 0.762650 O\n0.863445 0.447287 0.762650 O\n0.552712 0.916158 0.815363 O\n0.762650 0.899206 0.815364 O\n0.416158 0.600796 0.863445 O\n0.947287 0.262651 0.863446 O\n0.262651 0.815364 0.899205 O\n0.136556 0.083842 0.899206 O\n0.363446 0.100795 0.916158 O\n0.052713 0.815363 0.916159 O\n0.762650 0.363446 0.947286 O\n0.684637 0.583842 0.947287 O\n0.249999 0.874999 0.124999 Ti\n0.375000 0.250000 0.125000 Ti\n0.874999 0.124999 0.249999 Ti\n0.375000 0.625000 0.250000 Ti\n0.125000 0.750000 0.375000 Ti\n0.750000 0.625000 0.375000 Ti\n0.875000 0.250000 0.625000 Ti\n0.250000 0.375000 0.625000 Ti\n0.625000 0.375000 0.750000 Ti\n0.125000 0.875000 0.750000 Ti\n0.625000 0.750000 0.874999 Ti\n0.750000 0.125000 0.875000 Ti\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Bi",
"Li",
"O",
"Ti"
],
"chemical_system": "Bi-Li-O-Ti",
"density": 6.155661760935825,
"density_atomic": 0.09574208140347991,
"volume": 835.5782413258906,
"volume_molar": 6.289962231572204,
"formula_full": "Li12 Ti12 Bi8 O48",
"formula_reduced": "Li3Ti3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.06218484509519,
"spacegroup": 230
},
{
"id": "oqmd-675464",
"created_at": "2022-09-04T15:16:20.213129Z",
"updated_at": "2022-09-04T15:16:20.213159Z",
"structure_string": "Li12 Mn12 W8 O48\n1.0\n5.873946 5.873946 5.873946\n-5.873946 5.873946 -5.873946\n-5.873946 -5.873946 5.873946\nLi Mn O W\n12 12 48 8\ndirect\n0.750000 0.374999 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375001 0.250001 Li\n0.625000 0.875000 0.250001 Li\n0.625001 0.250001 0.375000 Li\n0.250001 0.125000 0.375001 Li\n0.375001 0.750000 0.625000 Li\n0.750000 0.874999 0.625001 Li\n0.374999 0.125000 0.750000 Li\n0.874999 0.625001 0.750000 Li\n0.124999 0.249999 0.874999 Li\n0.250001 0.625000 0.875000 Li\n0.249999 0.874999 0.124999 Mn\n0.375001 0.250001 0.125000 Mn\n0.874999 0.124999 0.249999 Mn\n0.375000 0.625001 0.250001 Mn\n0.125000 0.750000 0.374999 Mn\n0.750000 0.625000 0.375001 Mn\n0.875000 0.250001 0.625000 Mn\n0.250001 0.375000 0.625001 Mn\n0.625000 0.375001 0.750000 Mn\n0.125000 0.875000 0.750000 Mn\n0.625001 0.750000 0.874999 Mn\n0.750000 0.125000 0.875000 Mn\n0.322055 0.416493 0.034472 O\n0.212416 0.617979 0.034472 O\n0.965528 0.177944 0.083507 O\n0.617978 0.905562 0.083507 O\n0.712416 0.177944 0.094437 O\n0.882022 0.916494 0.094438 O\n0.583507 0.405562 0.117979 O\n0.034472 0.712416 0.117979 O\n0.465529 0.083507 0.177944 O\n0.212417 0.094438 0.177945 O\n0.117979 0.534472 0.212416 O\n0.594438 0.677945 0.212417 O\n0.465528 0.882021 0.287583 O\n0.322056 0.405563 0.287584 O\n0.916493 0.534471 0.322055 O\n0.905562 0.787584 0.322056 O\n0.287583 0.965528 0.382021 O\n0.594438 0.416493 0.382022 O\n0.822055 0.287583 0.405561 O\n0.083507 0.117979 0.405563 O\n0.822055 0.034472 0.416493 O\n0.094438 0.382022 0.416493 O\n0.583507 0.677945 0.465529 O\n0.382022 0.787584 0.465529 O\n0.617978 0.212417 0.534471 O\n0.416493 0.322056 0.534472 O\n0.177944 0.965528 0.583506 O\n0.905562 0.617978 0.583507 O\n0.177945 0.712416 0.594438 O\n0.916493 0.882021 0.594438 O\n0.712417 0.034472 0.617979 O\n0.405563 0.583507 0.617979 O\n0.094437 0.212416 0.677945 O\n0.083507 0.465528 0.677945 O\n0.534471 0.117979 0.712416 O\n0.677945 0.594438 0.712416 O\n0.405562 0.322055 0.787584 O\n0.882021 0.465529 0.787584 O\n0.787584 0.905562 0.822055 O\n0.534472 0.916493 0.822055 O\n0.416493 0.594438 0.882021 O\n0.965529 0.287584 0.882022 O\n0.117978 0.083507 0.905562 O\n0.287584 0.822055 0.905562 O\n0.382021 0.094437 0.916493 O\n0.034472 0.822055 0.916494 O\n0.787584 0.382022 0.965528 O\n0.677945 0.583507 0.965528 O\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.499999 0.499999 0.000000 W\n0.000000 0.500001 0.000000 W\n0.499999 0.000000 0.499999 W\n0.000000 0.499999 0.499999 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"W"
],
"chemical_system": "Li-Mn-O-W",
"density": 6.106553394859635,
"density_atomic": 0.0986825007639515,
"volume": 810.6807121898944,
"volume_molar": 6.1025417002807405,
"formula_full": "Li12 Mn12 W8 O48",
"formula_reduced": "Li3Mn3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.99336018248403,
"spacegroup": 230
}
]
}