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-110163
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ta', 'Ti', 'Nb', 'C']
  • Chemical System: C-Nb-Ta-Ti
  • Density: 9.292507664827848
  • Atomic Density: 0.09165040728550694
  • Unit Cell Volume: 109.11026253105742
  • Molar Volume: 6.570773593225816
  • Full Formula: Ta2 Ti2 Nb1 C5
  • Reduced Formula: Ta2Ti2NbC5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m