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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52495
  • 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: 11
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Fe', 'Cl']
  • Chemical System: Cl-Fe-K-Na
  • Density: 2.1915173410205253
  • Atomic Density: 0.03550806227353547
  • Unit Cell Volume: 309.7887999424405
  • Molar Volume: 16.95992508295324
  • Full Formula: K3 Na1 Fe1 Cl6
  • Reduced Formula: K3NaFeCl6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m