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  1. Third-Parties
  2. MatprojStructure
  3. mp-754742

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-754742
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Li', 'Co', 'O']
  • Chemical System: Co-Li-O
  • Density: 4.849718708548216
  • Atomic Density: 0.10828094164017034
  • Unit Cell Volume: 64.64664874509295
  • Molar Volume: 5.5615888343603865
  • Full Formula: Li1 Co2 O4
  • Reduced Formula: Li(CoO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -45.73309192
  • Final energy per atom: -6.5332988457142855
  • 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.