Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-70125
- 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: 58
- Number of elements: 5
- Element list: ['Ba', 'C', 'H', 'N', 'O']
- Chemical System: Ba-C-H-N-O
- Density: 2.535762988214743
- Atomic Density: 0.10311085339398134
- Unit Cell Volume: 562.5014059226621
- Molar Volume: 5.840452834765808
- Full Formula: Ba2 H16 C12 N12 O16
- Reduced Formula: BaH8C6(N3O4)2
- Formula Anonymous: AB6C6D8E8
- Spacegroup Number: 2
- Spacegroup Symbol: P-1
- Crystal System: triclinic
- Pointgroup: -1
