Structure
Basic information
Pretty formula | Ca4IrO6 |
Full formula | Ca8Ir2O12 |
Tags | Tetracalcium iridate(IV) |
Constituent elements | Ca; Ir; O; |
Number of elements | 3 |
Number of sites | 22 |
Volume | 288.73190 Å3 |
Density | 5.15907 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 167 |
Hermann Mauguin | R-3c |
Hall | -R 3 2"c |
Crystal System | Hexagonal |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-144.99402 eV | -6.59064 eV | -2.74875 eV | 0.00000 eV | 2.00000 eV | 0.02276 eV |