Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-112046
- 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: 11
- Number of elements: 4
- Element list: ['Ti', 'H', 'C', 'O']
- Chemical System: C-H-O-Ti
- Density: 2.5063752490085007
- Atomic Density: 0.0977224988583792
- Unit Cell Volume: 112.56363814377436
- Molar Volume: 6.162491575995585
- Full Formula: Ti1 H2 C2 O6
- Reduced Formula: TiH2(CO3)2
- Formula Anonymous: AB2C2D6
- Spacegroup Number: 5
- Spacegroup Symbol: C121
- Crystal System: monoclinic
- Pointgroup: 2
