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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226991

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-1226991
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ce', 'Al', 'Cu', 'Au']
  • Chemical System: Al-Au-Ce-Cu
  • Density: 5.934048279999643
  • Atomic Density: 0.05085959998028484
  • Unit Cell Volume: 196.61971395520982
  • Molar Volume: 11.8407159362921
  • Full Formula: Ce2 Al6 Cu1 Au1
  • Reduced Formula: Ce2Al6CuAu
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -47.15628211000001
  • Final energy per atom: -4.715628211
  • 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.