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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112444
  • 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: 18
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.7782311239638435
  • Atomic Density: 0.09555313701090742
  • Unit Cell Volume: 188.3768609077198
  • Molar Volume: 6.302399846184611
  • Full Formula: Fe6 O7 F5
  • Reduced Formula: Fe6O7F5
  • Formula Anonymous: A5B6C7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m