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-1205237
- Created at: Sept. 4, 2022, 2:47 p.m.
- Last updated at: Nov. 28, 2021, 1:37 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 300
- Number of elements: 3
- Element list: ['Ti', 'C', 'Cl']
- Chemical System: C-Cl-Ti
- Density: 1.7962174309901986
- Atomic Density: 0.06290561958863433
- Unit Cell Volume: 4769.049283066014
- Molar Volume: 9.573295358000207
- Full Formula: Ti12 C240 Cl48
- Reduced Formula: Ti(C5Cl)4
- Formula Anonymous: AB4C20
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m