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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173245

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-1173245
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-La-O-Sr-Ti
  • Density: 5.666412206837136
  • Atomic Density: 0.07480209103020524
  • Unit Cell Volume: 467.9013583439389
  • Molar Volume: 8.050765262121145
  • Full Formula: Sr6 La3 Ti3 Cu3 O20
  • Reduced Formula: Sr6La3Ti3Cu3O20
  • Formula Anonymous: A3B3C3D6E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -266.68202384
  • Final energy per atom: -7.619486395428571
  • 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.