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  1. Third-Parties
  2. MatprojStructure
  3. mp-777758

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-777758
  • 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: 24
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Li-Mn-O
  • Density: 3.1856029843493885
  • Atomic Density: 0.09501672514450697
  • Unit Cell Volume: 252.58710993774412
  • Molar Volume: 6.337979709194541
  • Full Formula: Li4 Mn2 Fe2 B4 O12
  • Reduced Formula: Li2MnFe(BO3)2
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -187.02265303
  • Final energy per atom: -7.792610542916666
  • 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.