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-568259
- Created at: Sept. 4, 2022, 2:41 p.m.
- Last updated at: Nov. 28, 2021, 1:35 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 144
- Number of elements: 7
- Element list: ['Ta', 'Si', 'P', 'H', 'C', 'N', 'Cl']
- Chemical System: C-Cl-H-N-P-Si-Ta
- Density: 1.8437760701686137
- Atomic Density: 0.06672862287909448
- Unit Cell Volume: 2157.9944825313337
- Molar Volume: 9.024823981324342
- Full Formula: Ta4 Si8 P4 H72 C24 N8 Cl24
- Reduced Formula: TaSi2PH18C6(NCl3)2
- Formula Anonymous: ABC2D2E6F6G18
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m