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  1. Third-Parties
  2. MatprojStructure
  3. mp-16496

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-16496
  • 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: 10
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Re']
  • Chemical System: Al-Cu-Re
  • Density: 12.789654166623246
  • Atomic Density: 0.07314617350161014
  • Unit Cell Volume: 136.7125513377658
  • Molar Volume: 8.233022278147521
  • Full Formula: Al2 Cu4 Re4
  • Reduced Formula: Al(CuRe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -69.85881165
  • Final energy per atom: -6.985881165
  • 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.