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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113240
  • 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: 12
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.3243593277849985
  • Atomic Density: 0.08460445285877173
  • Unit Cell Volume: 141.83650617103245
  • Molar Volume: 7.117995042238051
  • Full Formula: Fe4 O2 F6
  • Reduced Formula: Fe2OF3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2