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  1. Third-Parties
  2. MatprojStructure
  3. mp-22167

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-22167
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Co']
  • Chemical System: Co-Ga-Zr
  • Density: 6.867478882738192
  • Atomic Density: 0.04991293325832798
  • Unit Cell Volume: 180.31398702656588
  • Molar Volume: 12.065291231897707
  • Full Formula: Zr6 Ga2 Co1
  • Reduced Formula: Zr6Ga2Co
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -68.14095449
  • Final energy per atom: -7.571217165555556
  • 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.