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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220608

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-1220608
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Nd', 'Si', 'Ru']
  • Chemical System: Nd-Ru-Si
  • Density: 6.746735997429534
  • Atomic Density: 0.03778615540733404
  • Unit Cell Volume: 846.8710207492825
  • Molar Volume: 15.937426539115812
  • Full Formula: Nd20 Si9 Ru3
  • Reduced Formula: Nd20(Si3Ru)3
  • Formula Anonymous: A3B9C20
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -187.37186491
  • Final energy per atom: -5.8553707784375
  • 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.