Structure
Basic information
Pretty formula | Li2P2H2O7 |
Full formula | Li12P12H12O42 |
Tags | Hexalithium cyclo-hexaphosphate trihydrate |
Constituent elements | H; Li; O; P; |
Number of elements | 4 |
Number of sites | 78 |
Volume | 931.79384 Å3 |
Density | 2.02988 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 166 |
Hermann Mauguin | R-3m |
Hall | -R 3 2" |
Crystal System | Hexagonal |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-491.88297 eV | -6.30619 eV | -2.40310 eV | 5.27910 eV | 0.00000 eV | 0.02563 eV |