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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109911
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'O']
  • Chemical System: As-Cu-O
  • Density: 4.807499472178208
  • Atomic Density: 0.0776320336895234
  • Unit Cell Volume: 128.81280477583985
  • Molar Volume: 7.757288420505078
  • Full Formula: Cu2 As2 O6
  • Reduced Formula: CuAsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm