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  1. Third-Parties
  2. MatprojStructure
  3. mp-28826

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-28826
  • 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: 22
  • Number of elements: 3
  • Element list: ['Gd', 'Mn', 'C']
  • Chemical System: C-Gd-Mn
  • Density: 7.556848867389438
  • Atomic Density: 0.07657945838068324
  • Unit Cell Volume: 287.28330632264414
  • Molar Volume: 7.863911403059823
  • Full Formula: Gd6 Mn4 C12
  • Reduced Formula: Gd3(MnC3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -237.66615811
  • Final energy per atom: -10.803007186818181
  • 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.