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  1. Third-Parties
  2. MatprojStructure
  3. mp-777431

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-777431
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Li-Mn-O
  • Density: 3.249638568987687
  • Atomic Density: 0.09680591615646228
  • Unit Cell Volume: 371.8780982539859
  • Molar Volume: 6.220839592351703
  • Full Formula: Li6 Mn2 Fe4 B6 O18
  • Reduced Formula: Li3MnFe2(BO3)3
  • Formula Anonymous: AB2C3D3E9
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -278.97111493
  • Final energy per atom: -7.749197636944444
  • 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.