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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106361
  • 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: 6
  • Number of elements: 3
  • Element list: ['K', 'Br', 'Cl']
  • Chemical System: Br-Cl-K
  • Density: 2.3083359275931374
  • Atomic Density: 0.031109742228810373
  • Unit Cell Volume: 192.86562890397303
  • Molar Volume: 19.357732750427502
  • Full Formula: K3 Br1 Cl2
  • Reduced Formula: K3BrCl2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1