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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350792
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Bi', 'O', 'Ti', 'Tl']
  • Chemical System: Bi-O-Ti-Tl
  • Density: 8.353386489158474
  • Atomic Density: 0.06585244128607078
  • Unit Cell Volume: 1214.8372700788807
  • Molar Volume: 9.144901301136445
  • Full Formula: Ti8 Tl12 Bi12 O48
  • Reduced Formula: Ti2Tl3(BiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m