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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115223
  • 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: 3
  • Number of elements: 3
  • Element list: ['Mg', 'Zr', 'O']
  • Chemical System: Mg-O-Zr
  • Density: 3.2053755152173347
  • Atomic Density: 0.04402826130622837
  • Unit Cell Volume: 68.13805294590661
  • Molar Volume: 13.677898198419408
  • Full Formula: Mg1 Zr1 O1
  • Reduced Formula: MgZrO
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm