Formula Cs2Fe2K4O5
Reduced formula Cs2Fe2K4O5
Stoichiometry A2B2C4D5
Number of species 4
Number of atoms 13
Unique ID 8
Unit cell volume [Å3] 290.590
Direct bandgap GLLB-SC. [eV] 0.199
Indirect bandgap GLLB-SC. [eV] 0.184
Derivative discontinuity GLLB-SC. [eV] 0.070
ID of materials in Materials project 541234
ID of materials in ICSD 65942
Energy [eV] -61.629
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.776 0.000 0.000 Yes
2 -3.020 6.066 0.000 Yes
3 -0.027 -0.044 7.070 Yes
Lengths [Å] 6.776 6.776 7.070
Angles [°] 90.219 90.219 116.471
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