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  1. Third-Parties
  2. MatprojStructure
  3. mp-698793

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-698793
  • 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: 108
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'La', 'Fe', 'O']
  • Chemical System: Ba-Fe-La-O-Sr
  • Density: 5.6826286252783085
  • Atomic Density: 0.060971386639258836
  • Unit Cell Volume: 1771.3226802432591
  • Molar Volume: 9.876994918338312
  • Full Formula: Ba20 Sr4 La8 Fe16 O60
  • Reduced Formula: Ba5SrLa2Fe4O15
  • Formula Anonymous: AB2C4D5E15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -811.43347429
  • Final energy per atom: -7.513272910092593
  • 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.