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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118980
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'O']
  • Chemical System: Ca-Cu-O
  • Density: 5.634275559933624
  • Atomic Density: 0.0921040644592546
  • Unit Cell Volume: 173.71654653827085
  • Molar Volume: 6.538409347465986
  • Full Formula: Ca2 Cu6 O8
  • Reduced Formula: CaCu3O4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m