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-100832
  • 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: ['Hg', 'Te', 'Se']
  • Chemical System: Hg-Se-Te
  • Density: 9.493167932444292
  • Atomic Density: 0.03762740222282828
  • Unit Cell Volume: 106.3055051292706
  • Molar Volume: 16.004667886284242
  • Full Formula: Hg2 Te1 Se1
  • Reduced Formula: Hg2TeSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m