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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1102911
  • Created at: Sept. 4, 2022, 3:34 p.m.
  • Last updated at: Sept. 4, 2022, 3:34 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Ce', 'H', 'O', 'Si']
  • Chemical System: Ce-H-O-Si
  • Density: 4.324029655311889
  • Atomic Density: 0.07816205149977856
  • Unit Cell Volume: 1074.6903182324734
  • Molar Volume: 7.704686154529939
  • Full Formula: Ce12 Si12 H12 O48
  • Reduced Formula: CeSiHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622