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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110944
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Sm', 'Fe', 'Cu', 'O']
  • Chemical System: Ba-Cu-Fe-O-Sm
  • Density: 6.834767525957598
  • Atomic Density: 0.07605387036016185
  • Unit Cell Volume: 118.33717281421004
  • Molar Volume: 7.918256798084646
  • Full Formula: Ba1 Sm1 Fe1 Cu1 O5
  • Reduced Formula: BaSmFeCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm