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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1440049
  • 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', 'Nd', 'O']
  • Chemical System: F-Nd-O
  • Density: 6.8528631319160995
  • Atomic Density: 0.06907322871409209
  • Unit Cell Volume: 173.7286677255294
  • Molar Volume: 8.718487425753391
  • Full Formula: Nd4 O4 F4
  • Reduced Formula: NdOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm