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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-25728
  • 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: 9
  • Number of elements: 4
  • Element list: ['Cu', 'Na', 'O', 'S']
  • Chemical System: Cu-Na-O-S
  • Density: 2.4179030089062956
  • Atomic Density: 0.05402758152027633
  • Unit Cell Volume: 166.58158197627887
  • Molar Volume: 11.14641927427367
  • Full Formula: Na5 Cu1 S1 O2
  • Reduced Formula: Na5CuSO2
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm