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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045723

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1045723
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Al', 'Co', 'Cu', 'O']
  • Chemical System: Al-Co-Cu-O
  • Density: 5.936630461391544
  • Atomic Density: 0.11079722542417782
  • Unit Cell Volume: 180.5099353655445
  • Molar Volume: 5.435281196749055
  • Full Formula: Al1 Co4 Cu3 O12
  • Reduced Formula: AlCo4(CuO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -126.61106306
  • Final energy per atom: -6.330553153
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.