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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116877
  • 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: 24
  • Number of elements: 3
  • Element list: ['Mn', 'O', 'F']
  • Chemical System: F-Mn-O
  • Density: 4.8607953508609025
  • Atomic Density: 0.09929987480471243
  • Unit Cell Volume: 241.6921476205229
  • Molar Volume: 6.064600556489532
  • Full Formula: Mn8 O12 F4
  • Reduced Formula: Mn2O3F
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm