Structure
Basic information
Pretty formula | RbFeH4Cl3O2 |
Full formula | Rb4Fe4H16Cl12O8 |
Tags | Rubidium iron chloride bis(dideuteriohydrate) |
Constituent elements | Cl; Fe; H; O; Rb; |
Number of elements | 5 |
Number of sites | 44 |
Volume | 723.76347 Å3 |
Density | 2.60361 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 |
---|---|---|---|---|---|
-196.76380 eV | -4.47190 eV | -1.57369 eV | 3.85620 eV | 16.00020 eV | 0.00000 eV |