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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97410
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Cu', 'Se', 'O']
  • Chemical System: Cu-O-Se
  • Density: 4.644441069979123
  • Atomic Density: 0.0734090846411915
  • Unit Cell Volume: 544.8916873914417
  • Molar Volume: 8.203536101062948
  • Full Formula: Cu8 Se8 O24
  • Reduced Formula: CuSeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m