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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1101067
  • 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: 112
  • Number of elements: 4
  • Element list: ['H', 'O', 'Pr', 'Si']
  • Chemical System: H-O-Pr-Si
  • Density: 4.865974382417163
  • Atomic Density: 0.0876607808057295
  • Unit Cell Volume: 1277.6523203484824
  • Molar Volume: 6.869823317392118
  • Full Formula: Pr16 Si16 H16 O64
  • Reduced Formula: PrSiHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm