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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193693

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-1193693
  • 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: 29
  • Number of elements: 3
  • Element list: ['Er', 'Al', 'Cu']
  • Chemical System: Al-Cu-Er
  • Density: 8.021967599194868
  • Atomic Density: 0.0634165309724437
  • Unit Cell Volume: 457.2940139630365
  • Molar Volume: 9.496168692382108
  • Full Formula: Er6 Al7 Cu16
  • Reduced Formula: Er6Al7Cu16
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -130.14795924
  • Final energy per atom: -4.487860663448276
  • 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.