Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-98251
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 38
- Number of elements: 4
- Element list: ['Ti', 'S', 'Cl', 'O']
- Chemical System: Cl-O-S-Ti
- Density: 2.53037004465085
- Atomic Density: 0.04278474018262267
- Unit Cell Volume: 888.1671324355494
- Molar Volume: 14.075440762980108
- Full Formula: Ti8 S16 Cl12 O2
- Reduced Formula: Ti4S8Cl6O
- Formula Anonymous: AB4C6D8
- Spacegroup Number: 15
- Spacegroup Symbol: C12/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
