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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-27283
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Se', 'Ti']
  • Chemical System: Se-Ti
  • Density: 5.571763313675794
  • Atomic Density: 0.05112247291288465
  • Unit Cell Volume: 136.9260836017922
  • Molar Volume: 11.779830702364578
  • Full Formula: Ti3 Se4
  • Reduced Formula: Ti3Se4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m