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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87236
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sm', 'I', 'O']
  • Chemical System: I-O-Sm
  • Density: 6.556470298170225
  • Atomic Density: 0.03149862191981438
  • Unit Cell Volume: 698.4432543114142
  • Molar Volume: 19.118743592435514
  • Full Formula: Sm8 I12 O2
  • Reduced Formula: Sm4I6O
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm