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  1. Third-Parties
  2. MatprojStructure
  3. mp-650968

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-650968
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 3
  • Element list: ['Nd', 'Fe', 'B']
  • Chemical System: B-Fe-Nd
  • Density: 7.3572674933874165
  • Atomic Density: 0.0945627016117482
  • Unit Cell Volume: 1734.2990122399917
  • Molar Volume: 6.368410226608654
  • Full Formula: Nd20 Fe72 B72
  • Reduced Formula: Nd5(FeB)18
  • Formula Anonymous: A5B18C18
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1255.72903842
  • Final energy per atom: -7.656884380609757
  • 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.