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-13155
  • 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: 16
  • Number of elements: 3
  • Element list: ['Al', 'Bi', 'Br']
  • Chemical System: Al-Bi-Br
  • Density: 4.5244130675985925
  • Atomic Density: 0.03046931832314098
  • Unit Cell Volume: 525.1184102746481
  • Molar Volume: 19.764606139633507
  • Full Formula: Al2 Bi2 Br12
  • Reduced Formula: AlBiBr6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1