Formula | Be2Sn2Cu4Se8 |
Reduced formula | BeSnCu2Se4 |
Stoichiometry | ABC2D4 |
Number of species | 4 |
Number of atoms | 16 |
Unique ID | 20 |
Unit cell volume [Å3] | 337.807 |
Energy per atom [meV] | 17.726 |
Uncertainty of the total energy [meV] | 7.014 |
Direct band gap (GLLB-SC) [eV] | 0.500 |
Indirect band gap (GLLB-SC) [eV] | 0.500 |
Prototype | Cu2ZnSiS4 |
Space group: I-4, I4-2m, P31, Ama2, P1n1, Pmn21 | P1n1 |
Short chemical formula | Cu2BeSnSe4 |
Total energy (mBEEF) [eV] | -1176.243 |
Energy [eV] | 592.628 |
Maximum force [eV/Å] | 0.010 |
Maximum stress component [eV/Å3] | 0.000 |