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  1. Third-Parties
  2. MatprojStructure
  3. mp-765159

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-765159
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'C', 'O']
  • Chemical System: C-Cr-Li-O
  • Density: 3.2944185380199262
  • Atomic Density: 0.10291285598187006
  • Unit Cell Volume: 272.07485141538297
  • Molar Volume: 5.851689473141148
  • Full Formula: Li4 Cr4 C4 O16
  • Reduced Formula: LiCrCO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -223.17656159
  • Final energy per atom: -7.970591485357143
  • 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.