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  1. Third-Parties
  2. MatprojStructure
  3. mp-1264143

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-1264143
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Se']
  • Chemical System: Al-Cu-Se
  • Density: 4.60288317736191
  • Atomic Density: 0.04550776237279199
  • Unit Cell Volume: 878.9709252748285
  • Molar Volume: 13.233216589881147
  • Full Formula: Al13 Cu3 Se24
  • Reduced Formula: Al13(CuSe8)3
  • Formula Anonymous: A3B13C24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -180.91499023
  • Final energy per atom: -4.52287475575
  • 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.