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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111396
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Fe', 'P', 'O']
  • Chemical System: Fe-O-P
  • Density: 3.4630217591025914
  • Atomic Density: 0.09075658907484607
  • Unit Cell Volume: 110.1848372877158
  • Molar Volume: 6.635485997643212
  • Full Formula: Fe1 P2 O7
  • Reduced Formula: FeP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2