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  1. Third-Parties
  2. MatprojStructure
  3. mp-768647

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-768647
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Cr', 'O']
  • Chemical System: Cr-Li-Mn-O
  • Density: 3.649511291655034
  • Atomic Density: 0.1143219266557921
  • Unit Cell Volume: 419.8669616942472
  • Molar Volume: 5.267704049575594
  • Full Formula: Li16 Mn4 Cr4 O24
  • Reduced Formula: Li4MnCrO6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -330.37177273000003
  • Final energy per atom: -6.882745265208334
  • 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.