Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-52322
- 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: 18
- Number of elements: 3
- Element list: ['Ba', 'Ca', 'I']
- Chemical System: Ba-Ca-I
- Density: 4.22858541527015
- Atomic Density: 0.023412394551028292
- Unit Cell Volume: 768.8235374971256
- Molar Volume: 25.72201979116016
- Full Formula: Ba2 Ca4 I12
- Reduced Formula: BaCa2I6
- Formula Anonymous: AB2C6
- Spacegroup Number: 31
- Spacegroup Symbol: Pmn2_1
- Crystal System: orthorhombic
- Pointgroup: mm2
