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  1. Third-Parties
  2. MatprojStructure
  3. mp-22312

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-22312
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'Si']
  • Chemical System: Fe-Nb-Si
  • Density: 7.7359441835625695
  • Atomic Density: 0.061358352548189166
  • Unit Cell Volume: 195.57239563392008
  • Molar Volume: 9.814704127315634
  • Full Formula: Nb8 Fe2 Si2
  • Reduced Formula: Nb4FeSi
  • Formula Anonymous: ABC4
  • Spacegroup Number: 124
  • Spacegroup Symbol: P4/mcc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -111.93940028
  • Final energy per atom: -9.328283356666667
  • 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.