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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119629
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Nb', 'Pb', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Nb-O-Pb-Se
  • Density: 5.889413997701616
  • Atomic Density: 0.05991933786657492
  • Unit Cell Volume: 467.2948833705215
  • Molar Volume: 10.050412728875228
  • Full Formula: Nb2 Pb4 Se4 Cl2 O16
  • Reduced Formula: NbPb2Se2ClO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2