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-634187
- Created at: Sept. 4, 2022, 2:40 p.m.
- Last updated at: Nov. 28, 2021, 1:34 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 29
- Number of elements: 5
- Element list: ['Fe', 'H', 'C', 'N', 'Cl']
- Chemical System: C-Cl-Fe-H-N
- Density: 1.92869488010438
- Atomic Density: 0.054920141270849904
- Unit Cell Volume: 528.0394283215801
- Molar Volume: 10.9652681523534
- Full Formula: Fe3 H6 C6 N6 Cl8
- Reduced Formula: Fe3H6C6(N3Cl4)2
- Formula Anonymous: A3B6C6D6E8
- Spacegroup Number: 147
- Spacegroup Symbol: P-3
- Crystal System: trigonal
- Pointgroup: -3
