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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: 60
  • 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: 8
  • Number of elements: 4
  • Element list: ['Zr', 'Cu', 'Si', 'As']
  • Chemical System: As-Cu-Si-Zr
  • Density: 6.627859638436002
  • Atomic Density: 0.06193553064873132
  • Unit Cell Volume: 129.16656911155198
  • Molar Volume: 9.723240758450428
  • Full Formula: Zr2 Cu2 Si2 As2
  • Reduced Formula: ZrCuSiAs
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm