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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50268
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Zr', 'O']
  • Chemical System: O-Zr
  • Density: 5.895885655174651
  • Atomic Density: 0.08644306086031961
  • Unit Cell Volume: 138.81970259464077
  • Molar Volume: 6.9665982440522
  • Full Formula: Zr4 O8
  • Reduced Formula: ZrO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm