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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223196

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-1223196
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['La', 'Al', 'Cu', 'Au']
  • Chemical System: Al-Au-Cu-La
  • Density: 5.1109802795872294
  • Atomic Density: 0.0496307773208345
  • Unit Cell Volume: 503.7196947045448
  • Molar Volume: 12.133883620379981
  • Full Formula: La5 Al15 Cu4 Au1
  • Reduced Formula: La5Al15Cu4Au
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -113.41870643
  • Final energy per atom: -4.5367482572
  • 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.