Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-95707
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 30
- Number of elements: 5
- Element list: ['Ba', 'Sc', 'C', 'O', 'F']
- Chemical System: Ba-C-F-O-Sc
- Density: 4.592583978494078
- Atomic Density: 0.06383069708010443
- Unit Cell Volume: 469.9933005956594
- Molar Volume: 9.434552708146843
- Full Formula: Ba6 Sc2 C2 O6 F14
- Reduced Formula: Ba3ScCO3F7
- Formula Anonymous: ABC3D3E7
- Spacegroup Number: 63
- Spacegroup Symbol: Cmcm
- Crystal System: orthorhombic
- Pointgroup: mmm
