Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-104666
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 7
- Number of elements: 4
- Element list: ['Zr', 'H', 'N', 'Cl']
- Chemical System: Cl-H-N-Zr
- Density: 4.235258698989105
- Atomic Density: 0.06322693346521928
- Unit Cell Volume: 110.71231224349437
- Molar Volume: 9.524644688505635
- Full Formula: Zr2 H1 N2 Cl2
- Reduced Formula: Zr2H(NCl)2
- Formula Anonymous: AB2C2D2
- Spacegroup Number: 160
- Spacegroup Symbol: R3mH
- Crystal System: trigonal
- Pointgroup: 3m
