Structure
Basic information
Pretty formula | Na13Ca7S12Cl(O24F)2 |
Full formula | Na13Ca7S12Cl1O48F2 |
Tags | |
Constituent elements | Ca; Cl; F; Na; O; S; |
Number of elements | 6 |
Number of sites | 83 |
Volume | 1,117.87198 Å3 |
Density | 2.68214 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 1 |
Hermann Mauguin | P1 |
Hall | P 1 |
Crystal System | Triclinic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-494.73615 eV | -5.96068 eV | -2.49221 eV | 5.14930 eV | 0.00088 eV | 0.00649 eV |