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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1369825
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'Te']
  • Chemical System: Ba-Bi-Te
  • Density: 6.482438065717857
  • Atomic Density: 0.026771196200467737
  • Unit Cell Volume: 1494.1431716563018
  • Molar Volume: 22.494851238267728
  • Full Formula: Ba8 Bi8 Te24
  • Reduced Formula: BaBiTe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222