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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57587
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'F']
  • Chemical System: F-Fe-Na
  • Density: 3.301489674795951
  • Atomic Density: 0.0832564572427764
  • Unit Cell Volume: 240.22160757669357
  • Molar Volume: 7.233241672101656
  • Full Formula: Na6 Fe2 F12
  • Reduced Formula: Na3FeF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m