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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227929

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-1227929
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'Co', 'O']
  • Chemical System: Ba-Co-La-O
  • Density: 6.89089066703041
  • Atomic Density: 0.08453702244754789
  • Unit Cell Volume: 236.58273524371245
  • Molar Volume: 7.123672665117247
  • Full Formula: Ba1 La3 Co4 O12
  • Reduced Formula: BaLa3(CoO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -151.79041658
  • Final energy per atom: -7.589520829
  • 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.