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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90242
  • 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: 9
  • Number of elements: 4
  • Element list: ['Sm', 'Fe', 'Se', 'O']
  • Chemical System: Fe-O-Se-Sm
  • Density: 6.962895666556794
  • Atomic Density: 0.061032933697865825
  • Unit Cell Volume: 147.46136970169448
  • Molar Volume: 9.867034722288928
  • Full Formula: Sm2 Fe2 Se2 O3
  • Reduced Formula: Sm2Fe2Se2O3
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm