Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-21077
- Created at: Sept. 4, 2022, 2:49 p.m.
- Last updated at: Sept. 4, 2022, 2:49 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: 1.2306831627312542
- Atomic Density: 0.11685881049923919
- Unit Cell Volume: 753.0454881754331
- Molar Volume: 5.153347645994744
- Full Formula: Ca8 B16 H64
- Reduced Formula: Ca(BH4)2
- Formula Anonymous: AB2C8
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
