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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-48122
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 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: 5.160645352346881
  • Atomic Density: 0.10435521917743634
  • Unit Cell Volume: 114.9918527754349
  • Molar Volume: 5.770809363890547
  • Full Formula: Fe4 O6 F2
  • Reduced Formula: Fe2O3F
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm