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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228980

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-1228980
  • 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: 7
  • Number of elements: 4
  • Element list: ['Al', 'Cu', 'Ge', 'Se']
  • Chemical System: Al-Cu-Ge-Se
  • Density: 4.73835074893937
  • Atomic Density: 0.041699783455470193
  • Unit Cell Volume: 167.8665791508262
  • Molar Volume: 14.441659550656524
  • Full Formula: Al1 Cu1 Ge1 Se4
  • Reduced Formula: AlCuGeSe4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -31.65307486
  • Final energy per atom: -4.521867837142858
  • 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.