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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92605
  • 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: 5
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'F']
  • Chemical System: Cu-F-K
  • Density: 4.036760969363119
  • Atomic Density: 0.07614011982776644
  • Unit Cell Volume: 65.66840203706407
  • Molar Volume: 7.909287211029412
  • Full Formula: K1 Cu1 F3
  • Reduced Formula: KCuF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m