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  1. Third-Parties
  2. MatprojStructure
  3. mp-667386

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-667386
  • 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: 152
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Al', 'F']
  • Chemical System: Al-F-Na-Sr
  • Density: 3.4623362538264115
  • Atomic Density: 0.07558084478749727
  • Unit Cell Volume: 2011.0915725718924
  • Molar Volume: 7.967813507419534
  • Full Formula: Na12 Sr16 Al20 F104
  • Reduced Formula: Na3Sr4Al5F26
  • Formula Anonymous: A3B4C5D26
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -905.69602511
  • Final energy per atom: -5.958526480986842
  • 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.