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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1282808
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Li', 'Nd', 'O', 'Zr']
  • Chemical System: Li-Nd-O-Zr
  • Density: 5.514943557386442
  • Atomic Density: 0.09314389179929153
  • Unit Cell Volume: 1030.6633977337224
  • Molar Volume: 6.465416726387855
  • Full Formula: Li28 Nd12 Zr8 O48
  • Reduced Formula: Li7Nd3Zr2O12
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm