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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91267
  • 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: ['Ba', 'Sm', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Sm
  • Density: 7.350258137797379
  • Atomic Density: 0.06907452200794205
  • Unit Cell Volume: 130.29406123092966
  • Molar Volume: 8.718324188052415
  • Full Formula: Ba1 Sm2 Ni1 O5
  • Reduced Formula: BaSm2NiO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm