Structure
Basic information
Pretty formula | CsFeH4Cl3O2 |
Full formula | Cs4Fe4H16Cl12O8 |
Tags | Cesium iron chloride bis(dideuteriohydrate) |
Constituent elements | Cl; Cs; Fe; H; O; |
Number of elements | 5 |
Number of sites | 44 |
Volume | 769.63974 Å3 |
Density | 2.85781 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 54 |
Hermann Mauguin | Pcca |
Hall | -P 2a 2ac |
Crystal System | Orthorhombic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-196.88513 eV | -4.47466 eV | -1.58642 eV | 3.82190 eV | 16.00000 eV | 0.00000 eV |