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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223197

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-1223197
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['La', 'Y', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-La-O-Y
  • Density: 5.836292087370667
  • Atomic Density: 0.051465052709664595
  • Unit Cell Volume: 310.89057831656254
  • Molar Volume: 11.701417647375898
  • Full Formula: La3 Y1 Fe4 As4 O4
  • Reduced Formula: La3YFe4(AsO)4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -121.08826501
  • Final energy per atom: -7.568016563125
  • 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.