Formula Fe4Si4
Reduced formula FeSi
Stoichiometry AB
Number of species 2
Number of atoms 8
Unique ID 22
Unit cell volume [Å3] 88.133
Direct bandgap GLLB-SC. [eV] 0.409
Indirect bandgap GLLB-SC. [eV] 0.371
Derivative discontinuity GLLB-SC. [eV] 0.097
ID of materials in Materials project 871
ID of materials in ICSD 633541
Energy [eV] -58.044
Total magnetic moment [μB] -0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.450 0.000 0.000 Yes
2 0.000 4.450 0.000 Yes
3 0.000 0.000 4.450 Yes
Lengths [Å] 4.450 4.450 4.450
Angles [°] 90.000 90.000 90.000
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