Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-3442
- Created at: Sept. 4, 2022, 2:44 p.m.
- Last updated at: Nov. 28, 2021, 1:36 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 10
- Number of elements: 3
- Element list: ['Ca', 'Ti', 'O']
- Chemical System: Ca-O-Ti
- Density: 3.9245484599600706
- Atomic Density: 0.0869266842824365
- Unit Cell Volume: 115.0394735810773
- Molar Volume: 6.927839028615488
- Full Formula: Ca2 Ti2 O6
- Reduced Formula: CaTiO3
- Formula Anonymous: ABC3
- Spacegroup Number: 140
- Spacegroup Symbol: I4/mcm
- Crystal System: tetragonal
- Pointgroup: 4/mmm