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  1. Third-Parties
  2. MatprojStructure
  3. mp-29821

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-29821
  • 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: 11
  • Number of elements: 3
  • Element list: ['Gd', 'B', 'C']
  • Chemical System: B-C-Gd
  • Density: 7.4864572487090895
  • Atomic Density: 0.06990083283620327
  • Unit Cell Volume: 157.36579313405323
  • Molar Volume: 8.615263246021
  • Full Formula: Gd4 B3 C4
  • Reduced Formula: Gd4B3C4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -117.80226141
  • Final energy per atom: -10.709296491818181
  • 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.