Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-98601
- 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: 36
- Number of elements: 4
- Element list: ['Zr', 'Fe', 'H', 'O']
- Chemical System: Fe-H-O-Zr
- Density: 6.9929336888038485
- Atomic Density: 0.07662978129067594
- Unit Cell Volume: 469.7912403461389
- Molar Volume: 7.858747158831779
- Full Formula: Zr16 Fe8 H8 O4
- Reduced Formula: Zr4Fe2H2O
- Formula Anonymous: AB2C2D4
- Spacegroup Number: 227
- Spacegroup Symbol: Fd-3m1
- Crystal System: cubic
- Pointgroup: m-3m
