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  1. Third-Parties
  2. MatprojStructure
  3. mp-17141

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-17141
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Er', 'Al', 'Ni']
  • Chemical System: Al-Er-Ni
  • Density: 8.678266295727031
  • Atomic Density: 0.0633196223239762
  • Unit Cell Volume: 347.44363899450525
  • Molar Volume: 9.510702273597888
  • Full Formula: Er6 Al4 Ni12
  • Reduced Formula: Er3(AlNi3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -124.7215119
  • Final energy per atom: -5.669159631818181
  • 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.