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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-41473
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Hg', 'P', 'Pb']
  • Chemical System: Hg-P-Pb
  • Density: 3.8980527950655497
  • Atomic Density: 0.04463796571719364
  • Unit Cell Volume: 1433.7570938038625
  • Molar Volume: 13.491073491461538
  • Full Formula: Hg4 P56 Pb4
  • Reduced Formula: HgP14Pb
  • Formula Anonymous: ABC14
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm