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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5587
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'S']
  • Chemical System: Al-Cu-S
  • Density: 3.4428683837127894
  • Atomic Density: 0.053624125198736716
  • Unit Cell Volume: 149.1865829111645
  • Molar Volume: 11.230282522430539
  • Full Formula: Al2 Cu2 S4
  • Reduced Formula: AlCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m