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  1. Third-Parties
  2. MatprojStructure
  3. mp-504742

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-504742
  • 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: 24
  • Number of elements: 3
  • Element list: ['Pr', 'Ga', 'Co']
  • Chemical System: Co-Ga-Pr
  • Density: 6.78972063401471
  • Atomic Density: 0.0351638750505505
  • Unit Cell Volume: 682.5186349769001
  • Molar Volume: 17.125930379808132
  • Full Formula: Pr16 Ga6 Co2
  • Reduced Formula: Pr8Ga3Co
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -116.3571561
  • Final energy per atom: -4.8482148375
  • 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.