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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-687708
  • Created at: Sept. 4, 2022, 3:36 p.m.
  • Last updated at: Sept. 4, 2022, 3:36 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['As', 'Cd', 'I', 'P']
  • Chemical System: As-Cd-I-P
  • Density: 5.666759393484901
  • Atomic Density: 0.03280462432550253
  • Unit Cell Volume: 2194.8125144059863
  • Molar Volume: 18.35759708828108
  • Full Formula: Cd32 As8 P8 I24
  • Reduced Formula: Cd4AsPI3
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3