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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222880

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-1222880
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['La', 'Be', 'Al']
  • Chemical System: Al-Be-La
  • Density: 3.8703100312513015
  • Atomic Density: 0.050920477248477924
  • Unit Cell Volume: 98.19232399573505
  • Molar Volume: 11.826559933076842
  • Full Formula: La1 Be1 Al3
  • Reduced Formula: LaBeAl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -21.17236945
  • Final energy per atom: -4.23447389
  • 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.