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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1102869
  • 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', 'Si', 'Yb']
  • Chemical System: H-O-Si-Yb
  • Density: 5.9011479391615
  • Atomic Density: 0.09347380329347091
  • Unit Cell Volume: 898.6475037960432
  • Molar Volume: 6.442597335098103
  • Full Formula: Yb12 Si12 H12 O48
  • Reduced Formula: YbSiHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622