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-8552
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'In', 'Te']
  • Chemical System: In-Te-Tl
  • Density: 7.075326698236695
  • Atomic Density: 0.029671669137581718
  • Unit Cell Volume: 269.6174577475088
  • Molar Volume: 20.295928523860635
  • Full Formula: Tl2 In2 Te4
  • Reduced Formula: TlInTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm