Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57626
  • 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: 10
  • Number of elements: 3
  • Element list: ['K', 'Cr', 'F']
  • Chemical System: Cr-F-K
  • Density: 3.4328563317358034
  • Atomic Density: 0.06979944137051212
  • Unit Cell Volume: 143.26762225671132
  • Molar Volume: 8.627777875804245
  • Full Formula: K2 Cr2 F6
  • Reduced Formula: KCrF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm