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  1. Third-Parties
  2. MatprojStructure
  3. mp-41732

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-41732
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Ti', 'Cr', 'O']
  • Chemical System: Ba-Cr-La-O-Ti
  • Density: 6.316588863697972
  • Atomic Density: 0.08025280421693065
  • Unit Cell Volume: 560.7280697427207
  • Molar Volume: 7.503963031275024
  • Full Formula: Ba3 La6 Ti3 Cr6 O27
  • Reduced Formula: BaLa2TiCr2O9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -388.612343
  • Final energy per atom: -8.635829844444444
  • 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.