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  1. Third-Parties
  2. MatprojStructure
  3. mp-850947

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-850947
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Cr', 'O']
  • Chemical System: Cr-Li-Mn-O
  • Density: 4.265572573195857
  • Atomic Density: 0.09554269182574078
  • Unit Cell Volume: 230.26355631810696
  • Molar Volume: 6.303088854753762
  • Full Formula: Li3 Mn5 Cr2 O12
  • Reduced Formula: Li3Mn5Cr2O12
  • Formula Anonymous: A2B3C5D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -176.61622586
  • Final energy per atom: -8.028010266363635
  • 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.