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-74486
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'Tl', 'Bi']
  • Chemical System: Be-Bi-Tl
  • Density: 9.59441790383798
  • Atomic Density: 0.03660623124813931
  • Unit Cell Volume: 109.27101380323928
  • Molar Volume: 16.45113565277525
  • Full Formula: Be1 Tl1 Bi2
  • Reduced Formula: BeTlBi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm