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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50924
  • 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: 3
  • Element list: ['Hf', 'Zr', 'O']
  • Chemical System: Hf-O-Zr
  • Density: 7.194435949919942
  • Atomic Density: 0.07789823187601758
  • Unit Cell Volume: 154.0471421623425
  • Molar Volume: 7.730779781477978
  • Full Formula: Hf2 Zr2 O8
  • Reduced Formula: HfZrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m