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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119571
  • 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: 28
  • Number of elements: 4
  • Element list: ['Fe', 'S', 'O', 'F']
  • Chemical System: F-Fe-O-S
  • Density: 3.4301391742643075
  • Atomic Density: 0.08460642919454722
  • Unit Cell Volume: 330.94411697266816
  • Molar Volume: 7.117828771797545
  • Full Formula: Fe4 S4 O16 F4
  • Reduced Formula: FeSO4F
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m