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  1. Third-Parties
  2. MatprojStructure
  3. mp-1057

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-1057
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Al', 'Ni']
  • Chemical System: Al-Ni
  • Density: 4.767798907230983
  • Atomic Density: 0.0723847909541357
  • Unit Cell Volume: 69.07528410447561
  • Molar Volume: 8.319621678282855
  • Full Formula: Al3 Ni2
  • Reduced Formula: Al3Ni2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -25.86239974
  • Final energy per atom: -5.172479948
  • 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.