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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97905
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Cu', 'O']
  • Chemical System: Ba-Cu-Nd-O
  • Density: 6.324553399255114
  • Atomic Density: 0.0647807961118834
  • Unit Cell Volume: 185.24008225021979
  • Molar Volume: 9.296182080873344
  • Full Formula: Ba2 Nd1 Cu3 O6
  • Reduced Formula: Ba2Nd(CuO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm