Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-112108
- 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: 30
- Number of elements: 4
- Element list: ['Ti', 'H', 'C', 'O']
- Chemical System: C-H-O-Ti
- Density: 1.5251910935858721
- Atomic Density: 0.1167139090795561
- Unit Cell Volume: 257.03877315557133
- Molar Volume: 5.1597455757352
- Full Formula: Ti1 H16 C9 O4
- Reduced Formula: TiH16C9O4
- Formula Anonymous: AB4C9D16
- Spacegroup Number: 1
- Spacegroup Symbol: P1
- Crystal System: triclinic
- Pointgroup: 1
