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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79759
  • 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: 4
  • Number of elements: 3
  • Element list: ['Cu', 'B', 'O']
  • Chemical System: B-Cu-O
  • Density: 5.7219222401078955
  • Atomic Density: 0.1295960207515238
  • Unit Cell Volume: 30.86514521668265
  • Molar Volume: 4.64685622681759
  • Full Formula: Cu1 B1 O2
  • Reduced Formula: CuBO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m