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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-17283
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'O']
  • Chemical System: O-Zr
  • Density: 6.6622486345474226
  • Atomic Density: 0.055402085354960606
  • Unit Cell Volume: 144.39889669755354
  • Molar Volume: 10.869881018767083
  • Full Formula: Zr6 O2
  • Reduced Formula: Zr3O
  • Formula Anonymous: AB3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m