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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86903
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'Bi']
  • Chemical System: Bi-Fe-Ti
  • Density: 8.036919202932069
  • Atomic Density: 0.05092583100893319
  • Unit Cell Volume: 274.90960329236805
  • Molar Volume: 11.82531662358857
  • Full Formula: Ti8 Fe2 Bi4
  • Reduced Formula: Ti4FeBi2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm