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  1. Third-Parties
  2. MatprojStructure
  3. mp-705604

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-705604
  • 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: 17
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Fe', 'Cu', 'O']
  • Chemical System: Ba-Cu-Fe-La-O
  • Density: 4.784958224742512
  • Atomic Density: 0.07089163304193807
  • Unit Cell Volume: 239.80262931653922
  • Molar Volume: 8.49485404919001
  • Full Formula: Ba1 La1 Fe2 Cu2 O11
  • Reduced Formula: BaLaFe2Cu2O11
  • Formula Anonymous: ABC2D2E11
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -110.85684802
  • Final energy per atom: -6.52099106
  • 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.