Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-33320
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 27
- Number of elements: 5
- Element list: ['Ti', 'H', 'C', 'N', 'F']
- Chemical System: C-F-H-N-Ti
- Density: 1.8002634888659936
- Atomic Density: 0.10379575949786786
- Unit Cell Volume: 260.12623377503803
- Molar Volume: 5.801914056155352
- Full Formula: Ti1 H12 C2 N6 F6
- Reduced Formula: TiH12C2(NF)6
- Formula Anonymous: AB2C6D6E12
- Spacegroup Number: 12
- Spacegroup Symbol: C12/m1
- Crystal System: monoclinic
- Pointgroup: 2/m
