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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1361277
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['As', 'Be', 'Bi', 'Sb']
  • Chemical System: As-Be-Bi-Sb
  • Density: 5.423710276624346
  • Atomic Density: 0.04889597923025946
  • Unit Cell Volume: 1963.3516193206747
  • Molar Volume: 12.316228971794832
  • Full Formula: Be48 Bi8 Sb28 As12
  • Reduced Formula: Be12Bi2Sb7As3
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm