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  1. Third-Parties
  2. MatprojStructure
  3. mp-850954

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-850954
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 3
  • Element list: ['Li', 'Co', 'O']
  • Chemical System: Co-Li-O
  • Density: 2.6345055869820073
  • Atomic Density: 0.10203859534445023
  • Unit Cell Volume: 803.6174912364656
  • Molar Volume: 5.9018264017366615
  • Full Formula: Li42 Co8 O32
  • Reduced Formula: Li21(CoO4)4
  • Formula Anonymous: A4B16C21
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -450.7714124200001
  • Final energy per atom: -5.497212346585367
  • 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.