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-54836
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ta', 'Cr']
  • Chemical System: Cr-Ta
  • Density: 11.421026536067673
  • Atomic Density: 0.07241420313456429
  • Unit Cell Volume: 165.71334738988844
  • Molar Volume: 8.316242531605722
  • Full Formula: Ta4 Cr8
  • Reduced Formula: TaCr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm