Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-120195
- 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: 1.7436987036030522
- Atomic Density: 0.03660603130909164
- Unit Cell Volume: 81.9537079742077
- Molar Volume: 16.45122550748711
- Full Formula: Ca1 Al1 F1
- Reduced Formula: CaAlF
- Formula Anonymous: ABC
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
