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-90103
  • 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: 9
  • Number of elements: 3
  • Element list: ['K', 'Tc', 'F']
  • Chemical System: F-K-Tc
  • Density: 3.6297267833447395
  • Atomic Density: 0.06779370458993349
  • Unit Cell Volume: 132.7556895502121
  • Molar Volume: 8.88303832402487
  • Full Formula: K2 Tc1 F6
  • Reduced Formula: K2TcF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1