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  1. Third-Parties
  2. MatprojStructure
  3. mp-593

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-593
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 2
  • Element list: ['Al', 'Cu']
  • Chemical System: Al-Cu
  • Density: 6.853922941979292
  • Atomic Density: 0.0789271934005277
  • Unit Cell Volume: 658.8350321304132
  • Molar Volume: 7.629994809823983
  • Full Formula: Al16 Cu36
  • Reduced Formula: Al4Cu9
  • Formula Anonymous: A4B9
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -218.32140255
  • Final energy per atom: -4.198488510576923
  • 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.