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  1. Third-Parties
  2. MatprojStructure
  3. mp-675437

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-675437
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ga', 'Ge', 'S']
  • Chemical System: Ga-Ge-S
  • Density: 1.464288153738112
  • Atomic Density: 0.01955077590166127
  • Unit Cell Volume: 1227.5727633889287
  • Molar Volume: 30.802566559459596
  • Full Formula: Ga4 Ge4 S16
  • Reduced Formula: GaGeS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -110.03893286
  • Final energy per atom: -4.584955535833333
  • 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.