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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1102876
  • 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: ['H', 'La', 'O', 'Si']
  • Chemical System: H-La-O-Si
  • Density: 4.354661378424897
  • Atomic Density: 0.07912648623227592
  • Unit Cell Volume: 1061.5914341680468
  • Molar Volume: 7.610777435916965
  • Full Formula: La12 Si12 H12 O48
  • Reduced Formula: LaSiHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622