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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1338710
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 70
  • Number of elements: 2
  • Element list: ['Ca', 'Pb']
  • Chemical System: Ca-Pb
  • Density: 5.593880341620529
  • Atomic Density: 0.0315048564283952
  • Unit Cell Volume: 2221.879669856527
  • Molar Volume: 19.114960176654765
  • Full Formula: Ca42 Pb28
  • Reduced Formula: Ca3Pb2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm