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  1. Third-Parties
  2. MatprojStructure
  3. mp-774324

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-774324
  • 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: 72
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Li-Mn-O
  • Density: 3.267325428683154
  • Atomic Density: 0.09721165490891516
  • Unit Cell Volume: 740.6519317818646
  • Molar Volume: 6.194875260217093
  • Full Formula: Li12 Mn2 Fe10 B12 O36
  • Reduced Formula: Li6MnFe5(BO3)6
  • Formula Anonymous: AB5C6D6E18
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -554.35435667
  • Final energy per atom: -7.6993660648611115
  • 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.