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-112294
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ta', 'V', 'Se']
  • Chemical System: Se-Ta-V
  • Density: 8.749793762718477
  • Atomic Density: 0.04935855890671761
  • Unit Cell Volume: 405.19821572987695
  • Molar Volume: 12.200803454130826
  • Full Formula: Ta6 V2 Se12
  • Reduced Formula: Ta3VSe6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622