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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195315

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-1195315
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Ba', 'Co', 'O']
  • Chemical System: Ba-Co-O
  • Density: 5.9201831013238655
  • Atomic Density: 0.07069412668361473
  • Unit Cell Volume: 1584.2900288060143
  • Molar Volume: 8.51858710547703
  • Full Formula: Ba24 Co22 O66
  • Reduced Formula: Ba12(CoO3)11
  • Formula Anonymous: A11B12C33
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -760.0924693200001
  • Final energy per atom: -6.786539904642858
  • 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.