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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212040

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-1212040
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['La', 'Al', 'Fe', 'P']
  • Chemical System: Al-Fe-La-P
  • Density: 6.325196372136175
  • Atomic Density: 0.05165129613373542
  • Unit Cell Volume: 774.4239350050789
  • Molar Volume: 11.65922486128419
  • Full Formula: La12 Al8 Fe18 P2
  • Reduced Formula: La6Al4Fe9P
  • Formula Anonymous: AB4C6D9
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -265.1269832
  • Final energy per atom: -6.62817458
  • 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.