Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-55712
- 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: 21
- Number of elements: 4
- Element list: ['Ca', 'H', 'Br', 'O']
- Chemical System: Br-Ca-H-O
- Density: 2.283582096585659
- Atomic Density: 0.09377079188840912
- Unit Cell Volume: 223.9503322632789
- Molar Volume: 6.422192495896357
- Full Formula: Ca1 H12 Br2 O6
- Reduced Formula: CaH12(BrO3)2
- Formula Anonymous: AB2C6D12
- Spacegroup Number: 150
- Spacegroup Symbol: P321
- Crystal System: trigonal
- Pointgroup: 321
