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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214652

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-1214652
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Co', 'Cu', 'O']
  • Chemical System: Ba-Co-Cu-La-O
  • Density: 6.3166503710349255
  • Atomic Density: 0.06949556292694396
  • Unit Cell Volume: 187.06230228922718
  • Molar Volume: 8.665503963656896
  • Full Formula: Ba2 La1 Co1 Cu2 O7
  • Reduced Formula: Ba2LaCoCu2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -87.46523883
  • Final energy per atom: -6.728095294615385
  • 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.