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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97334
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Cu', 'O']
  • Chemical System: Cu-Nb-O
  • Density: 4.850547991201535
  • Atomic Density: 0.07143702594594124
  • Unit Cell Volume: 279.9668622142061
  • Molar Volume: 8.429999261947373
  • Full Formula: Nb4 Cu4 O12
  • Reduced Formula: NbCuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m