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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-6079
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Cl', 'Nd', 'O']
  • Chemical System: Cl-Nd-O
  • Density: 5.867510212354033
  • Atomic Density: 0.054168600258992325
  • Unit Cell Volume: 110.76527677127788
  • Molar Volume: 11.117401467283228
  • Full Formula: Nd2 Cl2 O2
  • Reduced Formula: NdClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm