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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211934

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-1211934
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['La', 'Al', 'Fe']
  • Chemical System: Al-Fe-La
  • Density: 6.787862006860932
  • Atomic Density: 0.05153489284687232
  • Unit Cell Volume: 776.1731477516329
  • Molar Volume: 11.685559874731526
  • Full Formula: La12 Al2 Fe26
  • Reduced Formula: La6AlFe13
  • Formula Anonymous: AB6C13
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -287.73917826
  • Final energy per atom: -7.1934794565
  • 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.