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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178130

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-1178130
  • 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: 56
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Co', 'O']
  • Chemical System: Co-Cr-Li-O
  • Density: 4.5407977777675
  • Atomic Density: 0.10328096360705062
  • Unit Cell Volume: 542.2102781017923
  • Molar Volume: 5.830833243299533
  • Full Formula: Li8 Cr4 Co12 O32
  • Reduced Formula: Li2CrCo3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -392.65243693
  • Final energy per atom: -7.011650659464286
  • 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.