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  1. Third-Parties
  2. MatprojStructure
  3. mp-555591

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-555591
  • 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: 36
  • Number of elements: 4
  • Element list: ['Sr', 'Li', 'Al', 'F']
  • Chemical System: Al-F-Li-Sr
  • Density: 3.473883895799458
  • Atomic Density: 0.07993868971176304
  • Unit Cell Volume: 450.34513487531643
  • Molar Volume: 7.533449424445391
  • Full Formula: Sr4 Li4 Al4 F24
  • Reduced Formula: SrLiAlF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -213.93607133
  • Final energy per atom: -5.942668648055555
  • 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.