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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226345

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-1226345
  • 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: 9
  • Number of elements: 4
  • Element list: ['Cr', 'Ga', 'Fe', 'As']
  • Chemical System: As-Cr-Fe-Ga
  • Density: 7.567410292299233
  • Atomic Density: 0.07552127040972563
  • Unit Cell Volume: 119.17172408742981
  • Molar Volume: 7.974098856293164
  • Full Formula: Cr3 Ga1 Fe3 As2
  • Reduced Formula: Cr3GaFe3As2
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -66.49670778
  • Final energy per atom: -7.388523086666666
  • 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.