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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217828

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-1217828
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 4
  • Element list: ['Sr', 'Ti', 'Al', 'O']
  • Chemical System: Al-O-Sr-Ti
  • Density: 3.989182934100852
  • Atomic Density: 0.09915641401520915
  • Unit Cell Volume: 1250.5494599772458
  • Molar Volume: 6.0733748994556125
  • Full Formula: Sr4 Ti12 Al32 O76
  • Reduced Formula: SrTi3Al8O19
  • Formula Anonymous: AB3C8D19
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -1027.16840632
  • Final energy per atom: -8.283616180000001
  • 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.