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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220494

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-1220494
  • 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: 13
  • Number of elements: 3
  • Element list: ['Nd', 'Fe', 'Si']
  • Chemical System: Fe-Nd-Si
  • Density: 7.520977814458113
  • Atomic Density: 0.07758989855521062
  • Unit Cell Volume: 167.54758341061103
  • Molar Volume: 7.761501009973389
  • Full Formula: Nd1 Fe10 Si2
  • Reduced Formula: Nd(Fe5Si)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -102.87462405
  • Final energy per atom: -7.913432619230769
  • 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.