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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-18244
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'Pd']
  • Chemical System: Ca-Pb-Pd
  • Density: 8.300829733962912
  • Atomic Density: 0.04239953160605352
  • Unit Cell Volume: 212.2664958571156
  • Molar Volume: 14.203319074261188
  • Full Formula: Ca3 Pd3 Pb3
  • Reduced Formula: CaPdPb
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m