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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81525
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'Au']
  • Chemical System: Au-Ca-Pb
  • Density: 9.340789578184769
  • Atomic Density: 0.04645792145094857
  • Unit Cell Volume: 86.09941803408704
  • Molar Volume: 12.962570368883865
  • Full Formula: Ca2 Pb1 Au1
  • Reduced Formula: Ca2PbAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m