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-554568
- Created at: Sept. 4, 2022, 2:48 p.m.
- Last updated at: Nov. 28, 2021, 1:38 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 64
- Number of elements: 5
- Element list: ['H', 'C', 'N', 'Cl', 'O']
- Chemical System: C-Cl-H-N-O
- Density: 1.2146709322747846
- Atomic Density: 0.10490103068395522
- Unit Cell Volume: 610.0988673106422
- Molar Volume: 5.740783213220703
- Full Formula: H40 C12 N4 Cl4 O4
- Reduced Formula: H10C3NClO
- Formula Anonymous: ABCD3E10
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
