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  1. Third-Parties
  2. MatprojStructure
  3. mp-758346

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-758346
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Al', 'H', 'O']
  • Chemical System: Al-H-Li-Mn-O
  • Density: 3.2247931903069245
  • Atomic Density: 0.10998803259245757
  • Unit Cell Volume: 436.41111554250676
  • Molar Volume: 5.475269097969999
  • Full Formula: Li2 Mn6 Al4 H12 O24
  • Reduced Formula: LiMn3Al2(HO2)6
  • Formula Anonymous: AB2C3D6E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -330.74357988
  • Final energy per atom: -6.890491247500001
  • 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.