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  1. Third-Parties
  2. MatprojStructure
  3. mp-31403

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-31403
  • 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: 140
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'Cu']
  • Chemical System: Al-Cu-Fe
  • Density: 4.944848121792536
  • Atomic Density: 0.07022540508102877
  • Unit Cell Volume: 1993.5805259999943
  • Molar Volume: 8.575444674262004
  • Full Formula: Al78 Fe14 Cu48
  • Reduced Formula: Al39Fe7Cu24
  • Formula Anonymous: A7B24C39
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -611.99170024
  • Final energy per atom: -4.371369287428571
  • 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.