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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65538
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'Cu']
  • Chemical System: Ba-Cu-Ti
  • Density: 5.620349784644651
  • Atomic Density: 0.04564496122513955
  • Unit Cell Volume: 87.63289293357857
  • Molar Volume: 13.193440411300488
  • Full Formula: Ba1 Ti2 Cu1
  • Reduced Formula: BaTi2Cu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm