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  1. Third-Parties
  2. MatprojStructure
  3. mp-22767

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-22767
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Th', 'Ga', 'Co']
  • Chemical System: Co-Ga-Th
  • Density: 8.713869726468682
  • Atomic Density: 0.05525130769335013
  • Unit Cell Volume: 217.18942955343448
  • Molar Volume: 10.899544302957388
  • Full Formula: Th2 Ga8 Co2
  • Reduced Formula: ThGa4Co
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.22159077
  • Final energy per atom: -4.935132564166667
  • 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.