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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122460
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'Fe']
  • Chemical System: Fe-Ta-Ti
  • Density: 10.07771229595217
  • Atomic Density: 0.08052643409759044
  • Unit Cell Volume: 149.01938890597256
  • Molar Volume: 7.478464466341243
  • Full Formula: Ta2 Ti2 Fe8
  • Reduced Formula: TaTiFe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1