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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42201
  • 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: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 5.391320014971118
  • Atomic Density: 0.1099423865407866
  • Unit Cell Volume: 218.29615269536143
  • Molar Volume: 5.4775423287413325
  • Full Formula: Fe8 O14 F2
  • Reduced Formula: Fe4O7F
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m