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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228962

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-1228962
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Ni']
  • Chemical System: Al-Cu-Ni
  • Density: 6.35652946459926
  • Atomic Density: 0.07983348974975867
  • Unit Cell Volume: 125.26071491231824
  • Molar Volume: 7.543376569002114
  • Full Formula: Al4 Cu4 Ni2
  • Reduced Formula: Al2Cu2Ni
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -45.51249065
  • Final energy per atom: -4.5512490649999995
  • 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.