Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-42970
- 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: 56
- Number of elements: 4
- Element list: ['Cl', 'Mo', 'N', 'S']
- Chemical System: Cl-Mo-N-S
- Density: 2.3015509254481006
- Atomic Density: 0.03851812664172383
- Unit Cell Volume: 1453.8609450268373
- Molar Volume: 15.634562957889706
- Full Formula: Mo4 S12 N8 Cl32
- Reduced Formula: MoS3(NCl4)2
- Formula Anonymous: AB2C3D8
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
