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-41761
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'Ru']
  • Chemical System: Ru-Ta-Ti
  • Density: 11.689420573748952
  • Atomic Density: 0.06533893861211947
  • Unit Cell Volume: 61.219237486328794
  • Molar Volume: 9.216771634063514
  • Full Formula: Ta1 Ti1 Ru2
  • Reduced Formula: TaTiRu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m