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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216379

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-1216379
  • 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: 21
  • Number of elements: 4
  • Element list: ['Y', 'Ga', 'Fe', 'C']
  • Chemical System: C-Fe-Ga-Y
  • Density: 7.061054696776268
  • Atomic Density: 0.07486183273970874
  • Unit Cell Volume: 280.51677645958875
  • Molar Volume: 8.04434053990999
  • Full Formula: Y2 Ga3 Fe14 C2
  • Reduced Formula: Y2Ga3(Fe7C)2
  • Formula Anonymous: A2B2C3D14
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -161.92496835
  • Final energy per atom: -7.710712778571429
  • 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.