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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51056
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cu', 'As', 'Pb', 'S']
  • Chemical System: As-Cu-Pb-S
  • Density: 5.334941604810524
  • Atomic Density: 0.04362591805912328
  • Unit Cell Volume: 550.1316893199682
  • Molar Volume: 13.804043623422656
  • Full Formula: Cu4 As4 Pb4 S12
  • Reduced Formula: CuAsPbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2