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  1. Third-Parties
  2. MatprojStructure
  3. mp-769567

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-769567
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Ti
  • Density: 3.776807171145659
  • Atomic Density: 0.09343997977281017
  • Unit Cell Volume: 749.1439977855078
  • Molar Volume: 6.444929434533509
  • Full Formula: Li10 Ti11 Cr9 O40
  • Reduced Formula: Li10Ti11Cr9O40
  • Formula Anonymous: A9B10C11D40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -595.26359309
  • Final energy per atom: -8.503765615571428
  • 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.