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-705526
- 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: 136
- Number of elements: 7
- Element list: ['H', 'Au', 'C', 'S', 'N', 'Cl', 'O']
- Chemical System: Au-C-Cl-H-N-O-S
- Density: 2.141869182195723
- Atomic Density: 0.08688270789894548
- Unit Cell Volume: 1565.3287436457845
- Molar Volume: 6.93134561022711
- Full Formula: H64 Au4 C24 S8 N16 Cl4 O16
- Reduced Formula: H16AuC6S2N4ClO4
- Formula Anonymous: ABC2D4E4F6G16
- Spacegroup Number: 60
- Spacegroup Symbol: Pbcn
- Crystal System: orthorhombic
- Pointgroup: mmm
