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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-651594
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Al', 'As', 'Cl', 'Se']
  • Chemical System: Al-As-Cl-Se
  • Density: 3.1152220003118676
  • Atomic Density: 0.03173445051145767
  • Unit Cell Volume: 1512.5517923390441
  • Molar Volume: 18.976666250533363
  • Full Formula: Al4 As12 Se16 Cl16
  • Reduced Formula: AlAs3(SeCl)4
  • Formula Anonymous: AB3C4D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m