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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223079

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-1223079
  • 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: 68
  • Number of elements: 4
  • Element list: ['Nd', 'Ti', 'Fe', 'B']
  • Chemical System: B-Fe-Nd-Ti
  • Density: 7.4136109656918014
  • Atomic Density: 0.07098845534915993
  • Unit Cell Volume: 957.9022344624759
  • Molar Volume: 8.483267779781697
  • Full Formula: Nd8 Ti6 Fe50 B4
  • Reduced Formula: Nd4Ti3Fe25B2
  • Formula Anonymous: A2B3C4D25
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -540.91528713
  • Final energy per atom: -7.954636575441177
  • 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.