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  1. Third-Parties
  2. MatprojStructure
  3. mp-569211

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-569211
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Nd', 'Fe', 'Sb']
  • Chemical System: Fe-Nd-Sb
  • Density: 7.685617672789057
  • Atomic Density: 0.040932590219338975
  • Unit Cell Volume: 1465.8246565508687
  • Molar Volume: 14.712337352046644
  • Full Formula: Nd12 Fe12 Sb36
  • Reduced Formula: NdFeSb3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -342.5154944
  • Final energy per atom: -5.708591573333334
  • 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.