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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97528
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 57
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'Si', 'Pb', 'O']
  • Chemical System: Ca-Mn-O-Pb-Si
  • Density: 5.664459981437806
  • Atomic Density: 0.06702778144535189
  • Unit Cell Volume: 850.3936542562193
  • Molar Volume: 8.984544363757413
  • Full Formula: Ca5 Mn1 Si9 Pb9 O33
  • Reduced Formula: Ca5MnSi9(Pb3O11)3
  • Formula Anonymous: AB5C9D9E33
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6