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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55621
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Fe', 'Cl']
  • Chemical System: Cl-Fe-K-Na
  • Density: 2.415313152998019
  • Atomic Density: 0.039134114178081575
  • Unit Cell Volume: 562.1693620018584
  • Molar Volume: 15.38846831333903
  • Full Formula: K6 Na2 Fe2 Cl12
  • Reduced Formula: K3NaFeCl6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m