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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1360865
  • 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: 4
  • Number of elements: 2
  • Element list: ['Se', 'Tl']
  • Chemical System: Se-Tl
  • Density: 10.263137052066975
  • Atomic Density: 0.056026464007387554
  • Unit Cell Volume: 71.39483226127865
  • Molar Volume: 10.748743235350227
  • Full Formula: Tl1 Se3
  • Reduced Formula: TlSe3
  • Formula Anonymous: AB3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm