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  1. Third-Parties
  2. MatprojStructure
  3. mp-640791

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-640791
  • 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: 36
  • Number of elements: 2
  • Element list: ['Nd', 'Si']
  • Chemical System: Nd-Si
  • Density: 5.879399205238013
  • Atomic Density: 0.038229063872883856
  • Unit Cell Volume: 941.69190539701
  • Molar Volume: 15.75278113014833
  • Full Formula: Nd20 Si16
  • Reduced Formula: Nd5Si4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -205.36281835
  • Final energy per atom: -5.7045227319444445
  • 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.