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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45782
  • 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: 22
  • Number of elements: 3
  • Element list: ['Mn', 'O', 'F']
  • Chemical System: F-Mn-O
  • Density: 4.125445746586722
  • Atomic Density: 0.08792831905512782
  • Unit Cell Volume: 250.20380505860473
  • Molar Volume: 6.848920603411444
  • Full Formula: Mn6 O4 F12
  • Reduced Formula: Mn3(OF3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m