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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225981

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-1225981
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['La', 'Al', 'Ni']
  • Chemical System: Al-La-Ni
  • Density: 4.3146537070953
  • Atomic Density: 0.04945695267876631
  • Unit Cell Volume: 404.3920807232981
  • Molar Volume: 12.176530161724916
  • Full Formula: La4 Al14 Ni2
  • Reduced Formula: La2Al7Ni
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -93.78456392
  • Final energy per atom: -4.689228196
  • 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.