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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235056

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-1235056
  • 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: 9
  • Number of elements: 4
  • Element list: ['Li', 'Al', 'H', 'O']
  • Chemical System: Al-H-Li-O
  • Density: 2.2960396435677413
  • Atomic Density: 0.09805078832698456
  • Unit Cell Volume: 91.78916512110398
  • Molar Volume: 6.141858584468563
  • Full Formula: Li1 Al2 H2 O4
  • Reduced Formula: LiAl2(HO2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -56.16228339
  • Final energy per atom: -6.24025371
  • 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.