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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59598
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Sm', 'Fe', 'Se', 'O']
  • Chemical System: Fe-O-Se-Sm
  • Density: 7.05541620495865
  • Atomic Density: 0.04445028581770247
  • Unit Cell Volume: 539.929036641693
  • Molar Volume: 13.548036079447803
  • Full Formula: Sm8 Fe2 Se12 O2
  • Reduced Formula: Sm4FeSe6O
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm