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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-73310
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Bi']
  • Chemical System: Be-Bi-Ti
  • Density: 7.119612859647205
  • Atomic Density: 0.06239318318969771
  • Unit Cell Volume: 64.1095676724581
  • Molar Volume: 9.651921014657207
  • Full Formula: Ti1 Be2 Bi1
  • Reduced Formula: TiBe2Bi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm