Formula Cu2Se4O10
Reduced formula CuSe2O5
Stoichiometry AB2C5
Number of species 3
Number of atoms 16
Unique ID 14
Unit cell volume [Å3] 249.469
Direct bandgap GLLB-SC. [eV] 0.289
Indirect bandgap GLLB-SC. [eV] 0.218
Derivative discontinuity GLLB-SC. [eV] 0.061
ID of materials in Materials project 3199
ID of materials in ICSD 245059
Energy [eV] -77.862
Total magnetic moment [μB] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.303 0.000 0.000 Yes
2 -2.651 6.233 0.000 Yes
3 0.000 -2.790 7.548 Yes
Lengths [Å] 5.303 6.774 8.047
Angles [°] 108.608 90.000 113.043
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