Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-29908
- 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: 11
- Number of elements: 4
- Element list: ['Zr', 'P', 'H', 'O']
- Chemical System: H-O-P-Zr
- Density: 2.9956851901451165
- Atomic Density: 0.07900382654977711
- Unit Cell Volume: 139.23376221618005
- Molar Volume: 7.622593769183689
- Full Formula: Zr1 P2 H2 O6
- Reduced Formula: ZrP2(HO3)2
- Formula Anonymous: AB2C2D6
- Spacegroup Number: 147
- Spacegroup Symbol: P-3
- Crystal System: trigonal
- Pointgroup: -3
