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  1. Third-Parties
  2. MatprojStructure
  3. mp-6591

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-6591
  • 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: 18
  • Number of elements: 4
  • Element list: ['Sr', 'Li', 'Al', 'F']
  • Chemical System: Al-F-Li-Sr
  • Density: 3.2698258861399845
  • Atomic Density: 0.07524304345337979
  • Unit Cell Volume: 239.2247731333822
  • Molar Volume: 8.003584761601632
  • Full Formula: Sr2 Li2 Al2 F12
  • Reduced Formula: SrLiAlF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -107.4326507
  • Final energy per atom: -5.968480594444444
  • 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.