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  1. Third-Parties
  2. MatprojStructure
  3. mp-864790

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-864790
  • 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: 8
  • Number of elements: 3
  • Element list: ['Nd', 'B', 'C']
  • Chemical System: B-C-Nd
  • Density: 5.912750930493404
  • Atomic Density: 0.04575235004634663
  • Unit Cell Volume: 174.85440620855732
  • Molar Volume: 13.162473083676876
  • Full Formula: Nd4 B2 C2
  • Reduced Formula: Nd2BC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -53.31480516
  • Final energy per atom: -6.664350645
  • 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.