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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112354
  • 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: 19
  • Number of elements: 5
  • Element list: ['Nb', 'Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-Nb-O-Pb
  • Density: 7.902725439397752
  • Atomic Density: 0.06285520288640276
  • Unit Cell Volume: 302.2820566554913
  • Molar Volume: 9.580974181061388
  • Full Formula: Nb2 Bi3 Pb2 Cl1 O11
  • Reduced Formula: Nb2Bi3Pb2ClO11
  • Formula Anonymous: AB2C2D3E11
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm