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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236333

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-1236333
  • 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: 9
  • Number of elements: 4
  • Element list: ['Li', 'Al', 'H', 'O']
  • Chemical System: Al-H-Li-O
  • Density: 2.5769497126422514
  • Atomic Density: 0.11004685895185606
  • Unit Cell Volume: 81.78334289338846
  • Molar Volume: 5.4723422525259
  • Full Formula: Li1 Al2 H2 O4
  • Reduced Formula: LiAl2(HO2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -56.4473896
  • Final energy per atom: -6.271932177777778
  • 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.