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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218575

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-1218575
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Sr', 'Ti', 'Fe', 'O']
  • Chemical System: Fe-O-Sr-Ti
  • Density: 5.011871020984148
  • Atomic Density: 0.0815378817515425
  • Unit Cell Volume: 613.2119074708992
  • Molar Volume: 7.385696844995701
  • Full Formula: Sr10 Ti8 Fe2 O30
  • Reduced Formula: Sr5Ti4FeO15
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -409.13847196
  • Final energy per atom: -8.1827694392
  • 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.