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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759278
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'O', 'S', 'Sr']
  • Chemical System: Ca-O-S-Sr
  • Density: 4.8206177663817105
  • Atomic Density: 0.08454333238784782
  • Unit Cell Volume: 236.5650777550233
  • Molar Volume: 7.123140985705476
  • Full Formula: Sr4 Ca2 S2 O12
  • Reduced Formula: Sr2CaSO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m