Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-98068
- 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: 72
- Number of elements: 5
- Element list: ['Ti', 'H', 'C', 'N', 'O']
- Chemical System: C-H-N-O-Ti
- Density: 1.87020358672584
- Atomic Density: 0.09724041911265233
- Unit Cell Volume: 740.4328432252901
- Molar Volume: 6.193042785041264
- Full Formula: Ti3 H24 C12 N3 O30
- Reduced Formula: TiH8C4NO10
- Formula Anonymous: ABC4D8E10
- Spacegroup Number: 181
- Spacegroup Symbol: P6_422
- Crystal System: hexagonal
- Pointgroup: 622
