Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-120043
- 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: 3
- Number of elements: 3
- Element list: ['C', 'Cl', 'F']
- Chemical System: C-Cl-F
- Density: 2.688179601366042
- Atomic Density: 0.07307290248308645
- Unit Cell Volume: 41.05489036369376
- Molar Volume: 8.24127762188438
- Full Formula: C1 Cl1 F1
- Reduced Formula: CClF
- Formula Anonymous: ABC
- Spacegroup Number: 187
- Spacegroup Symbol: P-6m2
- Crystal System: hexagonal
- Pointgroup: -6m2
