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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1347312
  • 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: 48
  • Number of elements: 3
  • Element list: ['Cl', 'In', 'Se']
  • Chemical System: Cl-In-Se
  • Density: 3.8032944741883066
  • Atomic Density: 0.029974970248187145
  • Unit Cell Volume: 1601.3360347839875
  • Molar Volume: 20.090564594852978
  • Full Formula: In16 Se16 Cl16
  • Reduced Formula: InSeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m