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-90617
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ta', 'Co']
  • Chemical System: Co-Ta
  • Density: 12.41626388099677
  • Atomic Density: 0.08360365469592493
  • Unit Cell Volume: 95.68959669402996
  • Molar Volume: 7.203202756988489
  • Full Formula: Ta2 Co6
  • Reduced Formula: TaCo3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm