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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220656

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-1220656
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Nd', 'Fe', 'B', 'C']
  • Chemical System: B-C-Fe-Nd
  • Density: 7.681062469525861
  • Atomic Density: 0.07269496209641427
  • Unit Cell Volume: 935.415578177379
  • Molar Volume: 8.284123942472
  • Full Formula: Nd8 Fe56 B2 C2
  • Reduced Formula: Nd4Fe28BC
  • Formula Anonymous: ABC4D28
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -546.58241629
  • Final energy per atom: -8.037976710147058
  • 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.