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  1. Third-Parties
  2. MatprojStructure
  3. mp-774303

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-774303
  • 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: 72
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Li-Mn-O
  • Density: 3.189430891341202
  • Atomic Density: 0.09536890012513745
  • Unit Cell Volume: 754.9630949452688
  • Molar Volume: 6.3145750366189635
  • Full Formula: Li12 Mn10 Fe2 B12 O36
  • Reduced Formula: Li6Mn5Fe(BO3)6
  • Formula Anonymous: AB5C6D6E18
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -568.36061547
  • Final energy per atom: -7.893897437083333
  • 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.