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  1. Third-Parties
  2. MatprojStructure
  3. mp-568683

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-568683
  • 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: 29
  • Number of elements: 2
  • Element list: ['La', 'Al']
  • Chemical System: Al-La
  • Density: 5.243513778253294
  • Atomic Density: 0.035586866634402824
  • Unit Cell Volume: 814.9073729341736
  • Molar Volume: 16.922368641970372
  • Full Formula: La16 Al13
  • Reduced Formula: La16Al13
  • Formula Anonymous: A13B16
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -138.20359762
  • Final energy per atom: -4.7656412972413795
  • 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.