Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-53119
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 8
- Number of elements: 3
- Element list: ['Ba', 'N', 'F']
- Chemical System: Ba-F-N
- Density: 5.436970984042447
- Atomic Density: 0.042569459827060084
- Unit Cell Volume: 187.92815395121946
- Molar Volume: 14.146622448264921
- Full Formula: Ba4 N2 F2
- Reduced Formula: Ba2NF
- Formula Anonymous: ABC2
- Spacegroup Number: 46
- Spacegroup Symbol: Ima2
- Crystal System: orthorhombic
- Pointgroup: mm2