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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42462
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mn', 'O', 'F']
  • Chemical System: F-Mn-O
  • Density: 5.002667141656319
  • Atomic Density: 0.10219813528420578
  • Unit Cell Volume: 117.41897214297354
  • Molar Volume: 5.8926131511625455
  • Full Formula: Mn4 O6 F2
  • Reduced Formula: Mn2O3F
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm