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-13139
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Tl', 'Te', 'I']
  • Chemical System: I-Te-Tl
  • Density: 5.86465746439356
  • Atomic Density: 0.024492352176335587
  • Unit Cell Volume: 734.9232883149348
  • Molar Volume: 24.587841611303336
  • Full Formula: Tl4 Te2 I12
  • Reduced Formula: Tl2TeI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m