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-37081
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Hg', 'S']
  • Chemical System: Hg-S-Ta
  • Density: 8.287934806336521
  • Atomic Density: 0.04479668584660855
  • Unit Cell Volume: 89.29231983135267
  • Molar Volume: 13.44327297028363
  • Full Formula: Ta1 Hg1 S2
  • Reduced Formula: TaHgS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m