Structure
Basic information
Pretty formula | Ca3PCl3 |
Full formula | Ca3P1Cl3 |
Tags | Tricalcium phosphide trichloride |
Constituent elements | Ca; Cl; P; |
Number of elements | 3 |
Number of sites | 7 |
Volume | 186.48080 Å3 |
Density | 2.29353 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 221 |
Hermann Mauguin | Pm-3m |
Hall | -P 4 2 3 |
Crystal System | Cubic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-31.04544 eV | -4.43506 eV | -2.26894 eV | 1.84190 eV | 0.00000 eV | 0.00000 eV |