Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-113035
- 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: 24
- Number of elements: 4
- Element list: ['Ca', 'Fe', 'Br', 'O']
- Chemical System: Br-Ca-Fe-O
- Density: 4.264885958878164
- Atomic Density: 0.06533516551728885
- Unit Cell Volume: 367.3366373220432
- Molar Volume: 9.217303901076724
- Full Formula: Ca6 Fe4 Br4 O10
- Reduced Formula: Ca3Fe2Br2O5
- Formula Anonymous: A2B2C3D5
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
