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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1725466
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ni', 'O', 'S', 'Sm']
  • Chemical System: Ni-O-S-Sm
  • Density: 7.211077181287813
  • Atomic Density: 0.08908382921936966
  • Unit Cell Volume: 112.2538185395569
  • Molar Volume: 6.760082960927094
  • Full Formula: Sm2 Ni1 S1 O6
  • Reduced Formula: Sm2NiSO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m