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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1442338
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['F', 'H', 'N']
  • Chemical System: F-H-N
  • Density: 1.8095503156927473
  • Atomic Density: 0.17653816941770692
  • Unit Cell Volume: 67.9739686866629
  • Molar Volume: 3.4112400620576357
  • Full Formula: H8 N2 F2
  • Reduced Formula: H4NF
  • Formula Anonymous: ABC4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm