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-79233
  • 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: 4
  • Number of elements: 3
  • Element list: ['Yb', 'K', 'Se']
  • Chemical System: K-Se-Yb
  • Density: 5.19657992378685
  • Atomic Density: 0.033826600600445074
  • Unit Cell Volume: 118.25013241050802
  • Molar Volume: 17.802973556617935
  • Full Formula: K1 Yb1 Se2
  • Reduced Formula: KYbSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m