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  1. Third-Parties
  2. MatprojStructure
  3. mp-694982

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-694982
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mg', 'Ti', 'O']
  • Chemical System: La-Mg-O-Sr-Ti
  • Density: 5.437118148726574
  • Atomic Density: 0.08055378880297656
  • Unit Cell Volume: 496.562614799342
  • Molar Volume: 7.475924906188242
  • Full Formula: Sr4 La4 Mg2 Ti6 O24
  • Reduced Formula: Sr2La2MgTi3O12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -339.5883109
  • Final energy per atom: -8.489707772500001
  • 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.