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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229038

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-1229038
  • 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: 8
  • Number of elements: 5
  • Element list: ['Al', 'Ga', 'Cu', 'Se', 'S']
  • Chemical System: Al-Cu-Ga-S-Se
  • Density: 4.476543572845931
  • Atomic Density: 0.04837247472266055
  • Unit Cell Volume: 165.38331036126056
  • Molar Volume: 12.449519679378469
  • Full Formula: Al1 Ga1 Cu2 Se2 S2
  • Reduced Formula: AlGaCu2(SeS)2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -37.0808684
  • Final energy per atom: -4.63510855
  • 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.