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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1101066
  • 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', 'O', 'Pr', 'Si']
  • Chemical System: H-O-Pr-Si
  • Density: 4.97463699473437
  • Atomic Density: 0.08961834340090799
  • Unit Cell Volume: 937.3081091694107
  • Molar Volume: 6.719763534413855
  • Full Formula: Pr12 Si12 H12 O48
  • Reduced Formula: PrSiHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm