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-33876
  • 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: 27
  • Number of elements: 3
  • Element list: ['Hf', 'Tl', 'Te']
  • Chemical System: Hf-Te-Tl
  • Density: 8.291957896198275
  • Atomic Density: 0.02983345176822852
  • Unit Cell Volume: 905.0243401185633
  • Molar Volume: 20.185866546000376
  • Full Formula: Hf3 Tl12 Te12
  • Reduced Formula: Hf(TlTe)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3