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-71988
  • 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: ['Be', 'Tl', 'Fe']
  • Chemical System: Be-Fe-Tl
  • Density: 9.90574427608393
  • Atomic Density: 0.07340073880476375
  • Unit Cell Volume: 54.495364285630295
  • Molar Volume: 8.204468862388563
  • Full Formula: Be1 Tl1 Fe2
  • Reduced Formula: BeTlFe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm