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-21494
  • 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: 16
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'F']
  • Chemical System: F-K-Nb
  • Density: 3.014126590967889
  • Atomic Density: 0.059030426751006886
  • Unit Cell Volume: 271.0466598435541
  • Molar Volume: 10.201757113160765
  • Full Formula: K2 Nb2 F12
  • Reduced Formula: KNbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm