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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-41769
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Hg', 'O', 'Te']
  • Chemical System: Hg-O-Te
  • Density: 8.808501891843317
  • Atomic Density: 0.06426968470698387
  • Unit Cell Volume: 1244.7548228178377
  • Molar Volume: 9.370110943372348
  • Full Formula: Hg24 Te8 O48
  • Reduced Formula: Hg3TeO6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m