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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1540011
  • Created at: Sept. 4, 2022, 3:56 p.m.
  • Last updated at: Sept. 4, 2022, 3:56 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ce', 'I', 'Sb']
  • Chemical System: Ce-I-Sb
  • Density: 10.919170076341096
  • Atomic Density: 0.05178022929314086
  • Unit Cell Volume: 154.49912271940693
  • Molar Volume: 11.630193303909781
  • Full Formula: Ce2 Sb5 I1
  • Reduced Formula: Ce2Sb5I
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm