Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-120194
- 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: ['Ca', 'Al', 'F']
- Chemical System: Al-Ca-F
- Density: 1.9623397548624641
- Atomic Density: 0.04119603367091981
- Unit Cell Volume: 72.82254461593212
- Molar Volume: 14.618253805950777
- Full Formula: Ca1 Al1 F1
- Reduced Formula: CaAlF
- Formula Anonymous: ABC
- Spacegroup Number: 187
- Spacegroup Symbol: P-6m2
- Crystal System: hexagonal
- Pointgroup: -6m2
