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  1. Third-Parties
  2. MatprojStructure
  3. mp-24413

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-24413
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Al', 'H']
  • Chemical System: Al-H-Li-Na
  • Density: 1.4291727398087877
  • Atomic Density: 0.10013621564845715
  • Unit Cell Volume: 199.72793929234282
  • Molar Volume: 6.0139488206161165
  • Full Formula: Na4 Li2 Al2 H12
  • Reduced Formula: Na2LiAlH6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -63.75380740999999
  • Final energy per atom: -3.1876903704999995
  • 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.