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  1. Third-Parties
  2. MatprojStructure
  3. mp-654129

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-654129
  • 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: 80
  • Number of elements: 4
  • Element list: ['Ga', 'Ag', 'P', 'Se']
  • Chemical System: Ag-Ga-P-Se
  • Density: 4.315263003000939
  • Atomic Density: 0.0364323113936659
  • Unit Cell Volume: 2195.8529925693583
  • Molar Volume: 16.529669761899886
  • Full Formula: Ga8 Ag8 P16 Se48
  • Reduced Formula: GaAg(PSe3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -341.72690771
  • Final energy per atom: -4.271586346375
  • 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.