Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-96867
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 48
- Number of elements: 4
- Element list: ['H', 'C', 'N', 'Cl']
- Chemical System: C-Cl-H-N
- Density: 1.0811419843571397
- Atomic Density: 0.09581192549935583
- Unit Cell Volume: 500.98147751265805
- Molar Volume: 6.28537703277917
- Full Formula: H32 C8 N4 Cl4
- Reduced Formula: H8C2NCl
- Formula Anonymous: ABC2D8
- Spacegroup Number: 72
- Spacegroup Symbol: Ibam
- Crystal System: orthorhombic
- Pointgroup: mmm
