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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52419
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Fe', 'P', 'H', 'N', 'O']
  • Chemical System: Fe-H-N-O-P
  • Density: 2.574458862953056
  • Atomic Density: 0.1161515667308132
  • Unit Cell Volume: 241.06433333690055
  • Molar Volume: 5.18472624132277
  • Full Formula: Fe2 P2 H12 N2 O10
  • Reduced Formula: FePH6NO5
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2