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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9194
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Y
  • Density: 6.410555822569614
  • Atomic Density: 0.08095345076128042
  • Unit Cell Volume: 172.93889103361263
  • Molar Volume: 7.439016747733695
  • Full Formula: Ba2 Y1 Ni3 O8
  • Reduced Formula: Ba2YNi3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm