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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110928
  • 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: 10
  • Number of elements: 3
  • Element list: ['Rb', 'Fe', 'Cl']
  • Chemical System: Cl-Fe-Rb
  • Density: 3.3435731372316497
  • Atomic Density: 0.040649496795198685
  • Unit Cell Volume: 246.00550531737827
  • Molar Volume: 14.814797807561805
  • Full Formula: Rb2 Fe2 Cl6
  • Reduced Formula: RbFeCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm