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  1. Third-Parties
  2. MatprojStructure
  3. mp-753919

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-753919
  • 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: 4.5633393739114245
  • Atomic Density: 0.11100526161971709
  • Unit Cell Volume: 144.137311750257
  • Molar Volume: 5.42509487580031
  • Full Formula: Li4 Co3 Cu1 O8
  • Reduced Formula: Li4Co3CuO8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -98.41478623
  • Final energy per atom: -6.150924139375
  • 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.