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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1736459
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['F', 'Fe', 'H', 'Na', 'O']
  • Chemical System: F-Fe-H-Na-O
  • Density: 2.7718500074897254
  • Atomic Density: 0.12527044010694077
  • Unit Cell Volume: 119.74093798341262
  • Molar Volume: 4.8073118884702755
  • Full Formula: Na1 Fe1 H6 O6 F1
  • Reduced Formula: NaFeH6O6F
  • Formula Anonymous: ABCD6E6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3