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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224609

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-1224609
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['In', 'Ga', 'Cu', 'Se']
  • Chemical System: Cu-Ga-In-Se
  • Density: 5.465717565789669
  • Atomic Density: 0.04098375903506561
  • Unit Cell Volume: 585.5978213093058
  • Molar Volume: 14.693968786141532
  • Full Formula: In4 Ga2 Cu6 Se12
  • Reduced Formula: In2Ga(CuSe2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -99.90966716
  • Final energy per atom: -4.1629027983333335
  • 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.