Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-1199188
- Created at: Sept. 4, 2022, 2:44 p.m.
- Last updated at: Nov. 28, 2021, 1:36 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 292
- Number of elements: 6
- Element list: ['Ti', 'Si', 'H', 'C', 'Cl', 'O']
- Chemical System: C-Cl-H-O-Si-Ti
- Density: 1.2075493610957486
- Atomic Density: 0.07101474463716619
- Unit Cell Volume: 4111.822150342272
- Molar Volume: 8.480127318303783
- Full Formula: Ti8 Si28 H168 C56 Cl24 O8
- Reduced Formula: Ti2Si7H42C14(Cl3O)2
- Formula Anonymous: A2B2C6D7E14F42
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m