Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-675691
- Created at: Sept. 4, 2022, 3:38 p.m.
- Last updated at: Sept. 4, 2022, 3:38 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 82
- Number of elements: 5
- Element list: ['C', 'Ca', 'H', 'N', 'O']
- Chemical System: C-Ca-H-N-O
- Density: 1.8347136745146804
- Atomic Density: 0.1120443135123492
- Unit Cell Volume: 731.8532947320186
- Molar Volume: 5.374784825056076
- Full Formula: Ca2 H32 C8 N20 O20
- Reduced Formula: CaH16C4(NO)10
- Formula Anonymous: AB4C10D10E16
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
