Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-686348
- Created at: Sept. 4, 2022, 3:52 p.m.
- Last updated at: Sept. 4, 2022, 3:52 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 88
- Number of elements: 3
- Element list: ['B', 'Ca', 'H']
- Chemical System: B-Ca-H
- Density: 1.165089779346793
- Atomic Density: 0.11063042858011272
- Unit Cell Volume: 795.4411921696121
- Molar Volume: 5.443475938122289
- Full Formula: Ca8 B16 H64
- Reduced Formula: Ca(BH4)2
- Formula Anonymous: AB2C8
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
