Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-34964
- 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: 20
- Number of elements: 3
- Element list: ['Th', 'Zr', 'H']
- Chemical System: H-Th-Zr
- Density: 6.830229845905187
- Atomic Density: 0.0975766132366157
- Unit Cell Volume: 204.96714670247422
- Molar Volume: 6.171705043089347
- Full Formula: Th2 Zr4 H14
- Reduced Formula: ThZr2H7
- Formula Anonymous: AB2C7
- Spacegroup Number: 227
- Spacegroup Symbol: Fd-3m1
- Crystal System: cubic
- Pointgroup: m-3m