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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97669
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P
  • Density: 2.766800416840553
  • Atomic Density: 0.12290596538391017
  • Unit Cell Volume: 301.0431583562805
  • Molar Volume: 4.8997953363688955
  • Full Formula: Fe3 P2 H16 O16
  • Reduced Formula: Fe3P2(HO)16
  • Formula Anonymous: A2B3C16D16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m