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  1. Third-Parties
  2. MatprojStructure
  3. mp-753366

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-753366
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'Cu', 'O']
  • Chemical System: Co-Cu-Li-O
  • Density: 4.871972972998836
  • Atomic Density: 0.11714866635109816
  • Unit Cell Volume: 136.57859281169712
  • Molar Volume: 5.140596941967276
  • Full Formula: Li4 Co2 Cu2 O8
  • Reduced Formula: Li2CoCuO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -94.59624168
  • Final energy per atom: -5.912265105
  • 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.