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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113197
  • 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: 22
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Fe', 'H', 'F']
  • Chemical System: F-Fe-H-K-Na
  • Density: 2.8901638199390627
  • Atomic Density: 0.07826898687807708
  • Unit Cell Volume: 281.081956947652
  • Molar Volume: 7.694159590159182
  • Full Formula: K4 Na2 Fe1 H3 F12
  • Reduced Formula: K4Na2FeH3F12
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2