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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-686973
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 87
  • Number of elements: 5
  • Element list: ['H', 'Mg', 'N', 'O', 'P']
  • Chemical System: H-Mg-N-O-P
  • Density: 1.8342794384000274
  • Atomic Density: 0.12759483262958807
  • Unit Cell Volume: 681.845794277295
  • Molar Volume: 4.719737183622843
  • Full Formula: Mg3 P4 H48 N2 O30
  • Reduced Formula: Mg3P4H48(NO15)2
  • Formula Anonymous: A2B3C4D30E48
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m