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  1. Third-Parties
  2. MatprojStructure
  3. mp-8924

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-8924
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Fe', 'N']
  • Chemical System: Ba-Fe-Li-N
  • Density: 5.275289059213157
  • Atomic Density: 0.05838393949484743
  • Unit Cell Volume: 274.047968301489
  • Molar Volume: 10.314721500647407
  • Full Formula: Ba4 Li2 Fe4 N6
  • Reduced Formula: Ba2LiFe2N3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -104.56764662
  • Final energy per atom: -6.53547791375
  • 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.