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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87924
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'Au']
  • Chemical System: Au-Ca-Pb
  • Density: 9.027687897090798
  • Atomic Density: 0.039899364484229385
  • Unit Cell Volume: 250.63055838778078
  • Molar Volume: 15.093325013686144
  • Full Formula: Ca4 Pb2 Au4
  • Reduced Formula: Ca2PbAu2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm