Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-676875
- Created at: Sept. 4, 2022, 3:52 p.m.
- Last updated at: Sept. 4, 2022, 3:52 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 84
- Number of elements: 4
- Element list: ['C', 'Cl', 'N', 'P']
- Chemical System: C-Cl-N-P
- Density: 2.0240453689331144
- Atomic Density: 0.0481084305854912
- Unit Cell Volume: 1746.0557116018908
- Molar Volume: 12.51784913103399
- Full Formula: P12 C12 N24 Cl36
- Reduced Formula: PCN2Cl3
- Formula Anonymous: ABC2D3
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
