Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-107634
- 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: 7
- Number of elements: 4
- Element list: ['Ba', 'Cu', 'S', 'Cl']
- Chemical System: Ba-Cl-Cu-S
- Density: 4.287772657372565
- Atomic Density: 0.038194683728520556
- Unit Cell Volume: 183.27157909604557
- Molar Volume: 15.766960666055141
- Full Formula: Ba2 Cu1 S2 Cl2
- Reduced Formula: Ba2Cu(SCl)2
- Formula Anonymous: AB2C2D2
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
