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  1. Third-Parties
  2. MatprojStructure
  3. mp-558557

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-558557
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'Cu', 'O']
  • Chemical System: Ba-Cu-La-O
  • Density: 6.756471887650641
  • Atomic Density: 0.07442973503578922
  • Unit Cell Volume: 295.5807915938623
  • Molar Volume: 8.091041513320288
  • Full Formula: Ba1 La4 Cu5 O12
  • Reduced Formula: BaLa4Cu5O12
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -155.28712007
  • Final energy per atom: -7.058505457727272
  • 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.