Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1225352

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-1225352
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ga', 'Fe', 'Co', 'Si']
  • Chemical System: Co-Fe-Ga-Si
  • Density: 8.352254017897952
  • Atomic Density: 0.08633999980892883
  • Unit Cell Volume: 185.31387578652004
  • Molar Volume: 6.974914029797372
  • Full Formula: Ga3 Fe4 Co8 Si1
  • Reduced Formula: Ga3Fe4Co8Si
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -109.67218745
  • Final energy per atom: -6.854511715625
  • 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.