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-65573
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'Br']
  • Chemical System: Ba-Bi-Br
  • Density: 7.3030993468923
  • Atomic Density: 0.027695755686045157
  • Unit Cell Volume: 144.42646177787626
  • Molar Volume: 21.743912057378267
  • Full Formula: Ba1 Bi2 Br1
  • Reduced Formula: BaBi2Br
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm