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  1. Third-Parties
  2. MatprojStructure
  3. mp-695403

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-695403
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mg', 'Ti', 'O']
  • Chemical System: Ba-La-Mg-O-Ti
  • Density: 5.923387121903232
  • Atomic Density: 0.07819572276381753
  • Unit Cell Volume: 767.3053957340363
  • Molar Volume: 7.701368498363117
  • Full Formula: Ba6 La6 Mg3 Ti9 O36
  • Reduced Formula: Ba2La2MgTi3O12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -509.1016929000001
  • Final energy per atom: -8.485028215000002
  • 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.