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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225048

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-1225048
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Er', 'Al', 'Cu']
  • Chemical System: Al-Cu-Er
  • Density: 7.019222506898727
  • Atomic Density: 0.05294778997615525
  • Unit Cell Volume: 113.31917730092356
  • Molar Volume: 11.373733941892644
  • Full Formula: Er2 Al3 Cu1
  • Reduced Formula: Er2Al3Cu
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -27.23834147
  • Final energy per atom: -4.539723578333334
  • 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.