Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-36858
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 22
- Number of elements: 4
- Element list: ['Ca', 'Ti', 'Ni', 'O']
- Chemical System: Ca-Ni-O-Ti
- Density: 4.055396763270889
- Atomic Density: 0.08322538055593909
- Unit Cell Volume: 264.3424380043889
- Molar Volume: 7.235942593200017
- Full Formula: Ca6 Ti2 Ni2 O12
- Reduced Formula: Ca3TiNiO6
- Formula Anonymous: ABC3D6
- Spacegroup Number: 167
- Spacegroup Symbol: R-3cH
- Crystal System: trigonal
- Pointgroup: -3m
