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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102844
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zr', 'Mn', 'O']
  • Chemical System: Mn-O-Zr
  • Density: 5.241341036655505
  • Atomic Density: 0.08128361577008632
  • Unit Cell Volume: 123.02602320602182
  • Molar Volume: 7.408800288896898
  • Full Formula: Zr2 Mn2 O6
  • Reduced Formula: ZrMnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3