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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-680503
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['O', 'Ti', 'Tl']
  • Chemical System: O-Ti-Tl
  • Density: 11.865971815537547
  • Atomic Density: 0.11899901673456223
  • Unit Cell Volume: 42.017153899287585
  • Molar Volume: 5.060664302321855
  • Full Formula: Ti1 Tl1 O3
  • Reduced Formula: TiTlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm