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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-676419
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['O', 'P', 'Zn']
  • Chemical System: O-P-Zn
  • Density: 3.782815727844948
  • Atomic Density: 0.0822240609149811
  • Unit Cell Volume: 1070.2463369085012
  • Molar Volume: 7.324061464474294
  • Full Formula: Zn16 P16 O56
  • Reduced Formula: Zn2P2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm