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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86997
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'O']
  • Chemical System: Ca-Cu-O
  • Density: 4.784645396746835
  • Atomic Density: 0.08034776907327269
  • Unit Cell Volume: 149.35075532783827
  • Molar Volume: 7.495093926638017
  • Full Formula: Ca2 Cu4 O6
  • Reduced Formula: CaCu2O3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm