Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-112153
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 25
- Number of elements: 4
- Element list: ['Zr', 'H', 'C', 'O']
- Chemical System: C-H-O-Zr
- Density: 2.2579031820157462
- Atomic Density: 0.1290554552604222
- Unit Cell Volume: 193.71517422144046
- Molar Volume: 4.666320186037752
- Full Formula: Zr1 H12 C8 O4
- Reduced Formula: ZrH12(C2O)4
- Formula Anonymous: AB4C8D12
- Spacegroup Number: 1
- Spacegroup Symbol: P1
- Crystal System: triclinic
- Pointgroup: 1
