Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-115678
- 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: 3
- Number of elements: 3
- Element list: ['Br', 'Cl', 'O']
- Chemical System: Br-Cl-O
- Density: 3.26391372383572
- Atomic Density: 0.044891032062907656
- Unit Cell Volume: 66.82849251039664
- Molar Volume: 13.415019622540479
- Full Formula: Br1 Cl1 O1
- Reduced Formula: BrClO
- Formula Anonymous: ABC
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
