Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-694274
- Created at: Sept. 4, 2022, 3:18 p.m.
- Last updated at: Sept. 4, 2022, 3:18 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 79
- Number of elements: 4
- Element list: ['Ca', 'Fe', 'O', 'Ti']
- Chemical System: Ca-Fe-O-Ti
- Density: 4.104979107492621
- Atomic Density: 0.08881111243608715
- Unit Cell Volume: 889.5283240242294
- Molar Volume: 6.78084149022886
- Full Formula: Ca16 Ti11 Fe5 O47
- Reduced Formula: Ca16Ti11Fe5O47
- Formula Anonymous: A5B11C16D47
- Spacegroup Number: 1
- Spacegroup Symbol: P1
- Crystal System: triclinic
- Pointgroup: 1
