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  1. Third-Parties
  2. MatprojStructure
  3. mp-22401

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-22401
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Nd', 'Re', 'Si']
  • Chemical System: Nd-Re-Si
  • Density: 9.382592573137755
  • Atomic Density: 0.057216641668696964
  • Unit Cell Volume: 699.0973051444204
  • Molar Volume: 10.525155941290928
  • Full Formula: Nd8 Re12 Si20
  • Reduced Formula: Nd2Re3Si5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -317.10562596
  • Final energy per atom: -7.927640649
  • 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.