Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-95103
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 88
- Number of elements: 3
- Element list: ['Ca', 'B', 'H']
- Chemical System: B-Ca-H
- Density: 1.124326686526628
- Atomic Density: 0.10675979259232292
- Unit Cell Volume: 824.280357456671
- Molar Volume: 5.640832202621805
- Full Formula: Ca8 B16 H64
- Reduced Formula: Ca(BH4)2
- Formula Anonymous: AB2C8
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
