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-87978
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Hg', 'Te', 'I']
  • Chemical System: Hg-I-Te
  • Density: 7.249664276187882
  • Atomic Density: 0.027513079357017755
  • Unit Cell Volume: 1017.6977879016674
  • Molar Volume: 21.88828332101595
  • Full Formula: Hg12 Te8 I8
  • Reduced Formula: Hg3(TeI)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m