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  1. Third-Parties
  2. MatprojStructure
  3. mp-706229

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-706229
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Fe', 'Cu', 'O']
  • Chemical System: Ba-Cu-Fe-La-O
  • Density: 6.3922144825084635
  • Atomic Density: 0.0756173478565328
  • Unit Cell Volume: 502.5301875450141
  • Molar Volume: 7.963967172487563
  • Full Formula: Ba4 La4 Fe4 Cu4 O22
  • Reduced Formula: Ba2La2Fe2Cu2O11
  • Formula Anonymous: A2B2C2D2E11
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -274.34119187
  • Final energy per atom: -7.219505049210526
  • 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.