Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-97955
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 42
- Number of elements: 6
- Element list: ['H', 'C', 'S', 'N', 'O', 'F']
- Chemical System: C-F-H-N-O-S
- Density: 2.3781501288226035
- Atomic Density: 0.08348848370973203
- Unit Cell Volume: 503.0633943002629
- Molar Volume: 7.213139456379917
- Full Formula: H4 C4 S6 N4 O12 F12
- Reduced Formula: H2C2S3N2(OF)6
- Formula Anonymous: A2B2C2D3E6F6
- Spacegroup Number: 15
- Spacegroup Symbol: C12/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
