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  1. Third-Parties
  2. MatprojStructure
  3. mp-753039

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-753039
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Co', 'O']
  • Chemical System: Co-Cr-Li-O
  • Density: 4.258103737345759
  • Atomic Density: 0.10209921789193883
  • Unit Cell Volume: 215.47667508368832
  • Molar Volume: 5.898322126594344
  • Full Formula: Li4 Cr3 Co3 O12
  • Reduced Formula: Li4Cr3(CoO4)3
  • Formula Anonymous: A3B3C4D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -159.87286914
  • Final energy per atom: -7.2669485972727275
  • 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.