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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222956

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-1222956
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['La', 'Al', 'Cu', 'Ni']
  • Chemical System: Al-Cu-La-Ni
  • Density: 7.325569280038882
  • Atomic Density: 0.0652737446246106
  • Unit Cell Volume: 91.92057288127116
  • Molar Volume: 9.225977143847562
  • Full Formula: La1 Al1 Cu1 Ni3
  • Reduced Formula: LaAlCuNi3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -32.58859158
  • Final energy per atom: -5.43143193
  • 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.