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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106794
  • 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: 8
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'Cl']
  • Chemical System: Cl-K-Nb
  • Density: 2.4326586724889507
  • Atomic Density: 0.03399790916414519
  • Unit Cell Volume: 235.30858798919743
  • Molar Volume: 17.713267986347404
  • Full Formula: K1 Nb1 Cl6
  • Reduced Formula: KNbCl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m