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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54651
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cu', 'Bi', 'Pb', 'S']
  • Chemical System: Bi-Cu-Pb-S
  • Density: 7.0414206321191015
  • Atomic Density: 0.044177305665297525
  • Unit Cell Volume: 543.2653630312419
  • Molar Volume: 13.631752025860996
  • Full Formula: Cu4 Bi4 Pb4 S12
  • Reduced Formula: CuBiPbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm