Structure
Basic information
| Pretty formula | ZrH7CN4F5 |
| Full formula | Zr4H28C4N16F20 |
| Tags | Aminoguanidinium(1+) pentafluorozirconate; Amidoguanidinium catena-pentafluorozirconate |
| Constituent elements | C; F; H; N; Zr; |
| Number of elements | 5 |
| Number of sites | 72 |
| Volume | 777.93922 Å3 |
| Density | 2.23109 g/cm3 |
| Source | Materials Project |
Space group
| Spacegroup Number | 62 |
| Hermann Mauguin | Pnma |
| Hall | -P 2ac 2n |
| Crystal System | Orthorhombic |
Calculated Energies
| Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
|---|---|---|---|---|---|
| -434.86254 eV | -6.03976 eV | -1.63058 eV | 4.38330 eV | 0.00340 eV | 0.05443 eV |