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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-43957
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Al', 'I', 'P']
  • Chemical System: Al-I-P
  • Density: 3.422543818472782
  • Atomic Density: 0.01920537860957441
  • Unit Cell Volume: 2082.749880289207
  • Molar Volume: 31.356532367436888
  • Full Formula: Al4 P4 I32
  • Reduced Formula: AlPI8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2