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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197409

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-1197409
  • 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: 426
  • Number of elements: 5
  • Element list: ['Ga', 'Si', 'H', 'C', 'S']
  • Chemical System: C-Ga-H-S-Si
  • Density: 1.0576806732473845
  • Atomic Density: 0.08787726561304585
  • Unit Cell Volume: 4847.670179860012
  • Molar Volume: 6.8528995730449545
  • Full Formula: Ga8 Si24 H276 C110 S8
  • Reduced Formula: Ga4Si12H138C55S4
  • Formula Anonymous: A4B4C12D55E138
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -2227.69903371
  • Final energy per atom: -5.22934045471831
  • 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.