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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96910
  • 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: 48
  • Number of elements: 3
  • Element list: ['Nb', 'Cu', 'O']
  • Chemical System: Cu-Nb-O
  • Density: 5.448896113776969
  • Atomic Density: 0.083734093489887
  • Unit Cell Volume: 573.2432035679375
  • Molar Volume: 7.1919817949988625
  • Full Formula: Nb12 Cu4 O32
  • Reduced Formula: Nb3CuO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m