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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-37462
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'P']
  • Chemical System: Fe-O-P
  • Density: 3.9003693443027507
  • Atomic Density: 0.09045663921569229
  • Unit Cell Volume: 121.60522539170056
  • Molar Volume: 6.657488949639518
  • Full Formula: Fe2 P2 O7
  • Reduced Formula: Fe2P2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1