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-12547
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Bi', 'O']
  • Chemical System: Ba-Bi-K-O
  • Density: 5.9420688535815085
  • Atomic Density: 0.02615475586028703
  • Unit Cell Volume: 688.2113561354597
  • Molar Volume: 23.0250314404346
  • Full Formula: K2 Ba8 Bi6 O2
  • Reduced Formula: KBa4Bi3O
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm