Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-604970

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-604970
  • 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: 184
  • Number of elements: 5
  • Element list: ['Ga', 'Si', 'H', 'C', 'Cl']
  • Chemical System: C-Cl-Ga-H-Si
  • Density: 1.1465351265053467
  • Atomic Density: 0.08633954479337469
  • Unit Cell Volume: 2131.1208026442982
  • Molar Volume: 6.974950788091384
  • Full Formula: Ga4 Si16 H120 C40 Cl4
  • Reduced Formula: GaSi4H30C10Cl
  • Formula Anonymous: ABC4D10E30
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -925.3746562
  • Final energy per atom: -5.029210088043478
  • 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.