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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9216
  • 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: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Y
  • Density: 6.329074226882905
  • Atomic Density: 0.0760377880595937
  • Unit Cell Volume: 170.9676245423053
  • Molar Volume: 7.919931541512255
  • Full Formula: Ba2 Y1 Ni3 O7
  • Reduced Formula: Ba2YNi3O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm