Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-33800
- 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: 15
- Number of elements: 5
- Element list: ['B', 'H', 'C', 'N', 'F']
- Chemical System: B-C-F-H-N
- Density: 1.8210914186049834
- Atomic Density: 0.1119959245236072
- Unit Cell Volume: 133.93344502315534
- Molar Volume: 5.377107056007753
- Full Formula: B1 H6 C1 N3 F4
- Reduced Formula: BH6CN3F4
- Formula Anonymous: ABC3D4E6
- Spacegroup Number: 160
- Spacegroup Symbol: R3mH
- Crystal System: trigonal
- Pointgroup: 3m
