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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52435
  • 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: 17
  • Number of elements: 4
  • Element list: ['Fe', 'H', 'O', 'F']
  • Chemical System: F-Fe-H-O
  • Density: 3.2142550544459674
  • Atomic Density: 0.09254992559191295
  • Unit Cell Volume: 183.68464254589813
  • Molar Volume: 6.506910428598137
  • Full Formula: Fe3 H4 O2 F8
  • Reduced Formula: Fe3H4(OF4)2
  • Formula Anonymous: A2B3C4D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m