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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228747

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-1228747
  • 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: 54
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'Co', 'O']
  • Chemical System: Ba-Co-La-O
  • Density: 5.921449607845286
  • Atomic Density: 0.06103433815433785
  • Unit Cell Volume: 884.7478588765871
  • Molar Volume: 9.866807672710044
  • Full Formula: Ba12 La4 Co8 O30
  • Reduced Formula: Ba6La2Co4O15
  • Formula Anonymous: A2B4C6D15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -385.48280876
  • Final energy per atom: -7.138570532592593
  • 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.