Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-96791
- 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: 64
- Number of elements: 5
- Element list: ['H', 'C', 'N', 'Cl', 'O']
- Chemical System: C-Cl-H-N-O
- Density: 1.352129238494554
- Atomic Density: 0.11677216188120904
- Unit Cell Volume: 548.0758339055712
- Molar Volume: 5.157171592083953
- Full Formula: H40 C12 N4 Cl4 O4
- Reduced Formula: H10C3NClO
- Formula Anonymous: ABCD3E10
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
