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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-111427
  • Created at: Sept. 4, 2022, 3:36 p.m.
  • Last updated at: Sept. 4, 2022, 3:36 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Cl', 'N', 'P']
  • Chemical System: Cl-N-P
  • Density: 1.5922241179306476
  • Atomic Density: 0.031047910548760924
  • Unit Cell Volume: 2318.99663221857
  • Molar Volume: 19.39628352942525
  • Full Formula: P16 N12 Cl44
  • Reduced Formula: P4N3Cl11
  • Formula Anonymous: A3B4C11
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m