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-86827
  • 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: 4
  • Element list: ['Tl', 'Hg', 'Ge', 'Te']
  • Chemical System: Ge-Hg-Te-Tl
  • Density: 7.622431190597847
  • Atomic Density: 0.030797373007643826
  • Unit Cell Volume: 259.7624153857026
  • Molar Volume: 19.554072870128632
  • Full Formula: Tl2 Hg1 Ge1 Te4
  • Reduced Formula: Tl2HgGeTe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m