Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-120309
- Created at: Sept. 4, 2022, 3:33 p.m.
- Last updated at: Sept. 4, 2022, 3:33 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 54
- Number of elements: 7
- Element list: ['C', 'Cl', 'H', 'N', 'O', 'S', 'Zn']
- Chemical System: C-Cl-H-N-O-S-Zn
- Density: 2.0794587458488807
- Atomic Density: 0.09482013949169052
- Unit Cell Volume: 569.4992676606665
- Molar Volume: 6.3511199121656485
- Full Formula: Zn2 H24 C4 S4 N8 Cl4 O8
- Reduced Formula: ZnH12C2S2N4(ClO2)2
- Formula Anonymous: AB2C2D2E4F4G12
- Spacegroup Number: 31
- Spacegroup Symbol: Pmn2_1
- Crystal System: orthorhombic
- Pointgroup: mm2
