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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117072
  • 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: 30
  • Number of elements: 3
  • Element list: ['Mn', 'As', 'F']
  • Chemical System: As-F-Mn
  • Density: 3.3962624595308557
  • Atomic Density: 0.0708915061443666
  • Unit Cell Volume: 423.18186806338514
  • Molar Volume: 8.494869255191512
  • Full Formula: Mn2 As4 F24
  • Reduced Formula: MnAs2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m