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  1. Third-Parties
  2. MatprojStructure
  3. mp-22484

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-22484
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ba', 'Mn', 'Fe', 'F']
  • Chemical System: Ba-F-Fe-Mn
  • Density: 4.303634127532965
  • Atomic Density: 0.06228688735253058
  • Unit Cell Volume: 770.6276881092191
  • Molar Volume: 9.668392523639783
  • Full Formula: Ba7 Mn1 Fe6 F34
  • Reduced Formula: Ba7MnFe6F34
  • Formula Anonymous: AB6C7D34
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -300.35630712
  • Final energy per atom: -6.257423065
  • 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.