Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226319

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-1226319
  • 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: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Ga', 'Ni', 'S']
  • Chemical System: Cr-Ga-Ni-S
  • Density: 3.868193166382102
  • Atomic Density: 0.0513528078317158
  • Unit Cell Volume: 272.6238465066659
  • Molar Volume: 11.726994129969833
  • Full Formula: Cr1 Ga3 Ni2 S8
  • Reduced Formula: CrGa3(NiS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -73.93791283
  • Final energy per atom: -5.281279487857143
  • 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.