Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-122895
- Created at: Sept. 4, 2022, 3:21 p.m.
- Last updated at: Sept. 4, 2022, 3:21 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 40
- Number of elements: 3
- Element list: ['Fe', 'O', 'Zr']
- Chemical System: Fe-O-Zr
- Density: 5.188617361244482
- Atomic Density: 0.08009184555371736
- Unit Cell Volume: 499.4266235652183
- Molar Volume: 7.5190435660031945
- Full Formula: Zr8 Fe8 O24
- Reduced Formula: ZrFeO3
- Formula Anonymous: ABC3
- Spacegroup Number: 55
- Spacegroup Symbol: Pbam
- Crystal System: orthorhombic
- Pointgroup: mmm