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Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 87
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'S']
  • Chemical System: As-Cu-S
  • Density: 4.409269182879521
  • Atomic Density: 0.05393990482384704
  • Unit Cell Volume: 296.626404
  • Molar Volume: 11.164537237628918
  • Full Formula: Cu6 As2 S8
  • Reduced Formula: Cu3AsS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2