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-109731
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Bi', 'Se']
  • Chemical System: Bi-K-Se
  • Density: 5.748572602659392
  • Atomic Density: 0.03410721600266985
  • Unit Cell Volume: 117.27723540047616
  • Molar Volume: 17.65650048813306
  • Full Formula: K1 Bi1 Se2
  • Reduced Formula: KBiSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm