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  1. Third-Parties
  2. MatprojStructure
  3. mp-16505

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-16505
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['La', 'Al']
  • Chemical System: Al-La
  • Density: 4.002686007064809
  • Atomic Density: 0.04729643070266931
  • Unit Cell Volume: 296.00542349615125
  • Molar Volume: 12.732759471551674
  • Full Formula: La3 Al11
  • Reduced Formula: La3Al11
  • Formula Anonymous: A3B11
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -61.60823777
  • Final energy per atom: -4.400588412142858
  • 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.