Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-45248
- 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: 24
- Number of elements: 4
- Element list: ['Ca', 'B', 'N', 'F']
- Chemical System: B-Ca-F-N
- Density: 2.7371421407265095
- Atomic Density: 0.07167820654330373
- Unit Cell Volume: 334.82980612106445
- Molar Volume: 8.401634262935666
- Full Formula: Ca8 B4 N8 F4
- Reduced Formula: Ca2BN2F
- Formula Anonymous: ABC2D2
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
