Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-24306
- 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: 36
- Number of elements: 4
- Element list: ['Ba', 'Ta', 'Cl', 'O']
- Chemical System: Ba-Cl-O-Ta
- Density: 5.37031164456582
- Atomic Density: 0.04607562597438909
- Unit Cell Volume: 781.3241651889965
- Molar Volume: 13.070122505437858
- Full Formula: Ba10 Ta4 Cl4 O18
- Reduced Formula: Ba5Ta2Cl2O9
- Formula Anonymous: A2B2C5D9
- Spacegroup Number: 194
- Spacegroup Symbol: P6_3/mmc
- Crystal System: hexagonal
- Pointgroup: 6/mmm
