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  1. Third-Parties
  2. MatprojStructure
  3. mp-684769

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-684769
  • 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: 28
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-La-O-Sr-Ti
  • Density: 6.451070731794112
  • Atomic Density: 0.07236576411681743
  • Unit Cell Volume: 386.92329641956957
  • Molar Volume: 8.3218091227209
  • Full Formula: Sr2 La6 Ti1 Cu3 O16
  • Reduced Formula: Sr2La6TiCu3O16
  • Formula Anonymous: AB2C3D6E16
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -218.70971577
  • Final energy per atom: -7.8110612775
  • 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.