Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-31842
- 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: 18
- Number of elements: 4
- Element list: ['Ti', 'S', 'Cl', 'O']
- Chemical System: Cl-O-S-Ti
- Density: 2.340179546943284
- Atomic Density: 0.041093880552536696
- Unit Cell Volume: 438.02142211874593
- Molar Volume: 14.654592554969254
- Full Formula: Ti2 S2 Cl12 O2
- Reduced Formula: TiSCl6O
- Formula Anonymous: ABCD6
- Spacegroup Number: 2
- Spacegroup Symbol: P-1
- Crystal System: triclinic
- Pointgroup: -1
