Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-20504
- Created at: Sept. 4, 2022, 2:48 p.m.
- Last updated at: Sept. 4, 2022, 2:48 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 7
- Number of elements: 4
- Element list: ['Ba', 'F', 'O', 'Pd']
- Chemical System: Ba-F-O-Pd
- Density: 6.228875211889937
- Atomic Density: 0.05821233341428556
- Unit Cell Volume: 120.24943151105792
- Molar Volume: 10.345128612422432
- Full Formula: Ba2 Pd1 O2 F2
- Reduced Formula: Ba2Pd(OF)2
- Formula Anonymous: AB2C2D2
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
