Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-35907
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 6
- Number of elements: 4
- Element list: ['Ba', 'Ti', 'As', 'O']
- Chemical System: As-Ba-O-Ti
- Density: 5.4775474579687895
- Atomic Density: 0.04961583975105919
- Unit Cell Volume: 120.92912324177509
- Molar Volume: 12.137536702422619
- Full Formula: Ba1 Ti2 As2 O1
- Reduced Formula: BaTi2As2O
- Formula Anonymous: ABC2D2
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
