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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4654
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['O', 'P', 'Y']
  • Chemical System: O-P-Y
  • Density: 4.270324184854572
  • Atomic Density: 0.08391412854654409
  • Unit Cell Volume: 143.00333219028832
  • Molar Volume: 7.176551629991294
  • Full Formula: Y2 P2 O8
  • Reduced Formula: YPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm