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-68169
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Be', 'V']
  • Chemical System: Be-Ta-V
  • Density: 8.830952598965368
  • Atomic Density: 0.07289018865109849
  • Unit Cell Volume: 54.8770702068929
  • Molar Volume: 8.261936032057784
  • Full Formula: Ta1 Be1 V2
  • Reduced Formula: TaBeV2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm