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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41727
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'Pb']
  • Chemical System: Ca-Mg-Pb
  • Density: 5.436161864023312
  • Atomic Density: 0.03616279216733634
  • Unit Cell Volume: 331.83278394191234
  • Molar Volume: 16.65286444734053
  • Full Formula: Ca4 Mg4 Pb4
  • Reduced Formula: CaMgPb
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm