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  1. Third-Parties
  2. MatprojStructure
  3. mp-23774

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-23774
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Al', 'H']
  • Chemical System: Al-H-K-Li
  • Density: 1.574960297385737
  • Atomic Density: 0.08026479792304378
  • Unit Cell Volume: 249.175236436471
  • Molar Volume: 7.502841738633546
  • Full Formula: K4 Li2 Al2 H12
  • Reduced Formula: K2LiAlH6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -63.994631600000005
  • Final energy per atom: -3.1997315800000004
  • 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.