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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-105391
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'B']
  • Chemical System: B-Ta-Ti
  • Density: 8.44487107628588
  • Atomic Density: 0.1121585202563969
  • Unit Cell Volume: 53.49571290958426
  • Molar Volume: 5.369311886634426
  • Full Formula: Ta1 Ti1 B4
  • Reduced Formula: TaTiB4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm