Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-100007
- 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: 4
- Number of elements: 3
- Element list: ['Cu', 'Br', 'Cl']
- Chemical System: Br-Cl-Cu
- Density: 5.577045418605402
- Atomic Density: 0.05541083287183923
- Unit Cell Volume: 72.18805047113578
- Molar Volume: 10.868165028179101
- Full Formula: Cu2 Br1 Cl1
- Reduced Formula: Cu2BrCl
- Formula Anonymous: ABC2
- Spacegroup Number: 166
- Spacegroup Symbol: R-3mH
- Crystal System: trigonal
- Pointgroup: -3m