Structure
Basic information
Pretty formula | FePH6NO5 |
Full formula | Fe2P2H12N2O10 |
Tags | Tetradeuterioammonium iron phosphate(V) dideuteriohydrate |
Constituent elements | Fe; H; N; O; P; |
Number of elements | 5 |
Number of sites | 28 |
Volume | 248.16677 Å3 |
Density | 2.50078 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 31 |
Hermann Mauguin | Pmn21 |
Hall | P 2ac -2 |
Crystal System | Orthorhombic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-164.43604 eV | -5.87272 eV | -1.60912 eV | 3.31690 eV | 8.00010 eV | 0.00656 eV |