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-110989
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'V', 'B']
  • Chemical System: B-Ta-V
  • Density: 8.852281660115445
  • Atomic Density: 0.11625565656076564
  • Unit Cell Volume: 51.61039193704834
  • Molar Volume: 5.180084082061236
  • Full Formula: Ta1 V1 B4
  • Reduced Formula: TaVB4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm