Structure
Basic information
Pretty formula | Na13Ca7S12(ClO16)3 |
Full formula | Na13Ca7S12Cl3O48 |
Tags | |
Constituent elements | Ca; Cl; Na; O; S; |
Number of elements | 5 |
Number of sites | 83 |
Volume | 1,141.66229 Å3 |
Density | 2.67412 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 |
---|---|---|---|---|---|
-489.68559 eV | -5.89983 eV | -2.43538 eV | 5.03700 eV | 0.00028 eV | 0.01742 eV |