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  1. Third-Parties
  2. MatprojStructure
  3. mp-4579

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-4579
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Ru']
  • Chemical System: La-Ru-Si
  • Density: 6.843448562897645
  • Atomic Density: 0.046122578617653356
  • Unit Cell Volume: 130.08812993173603
  • Molar Volume: 13.056817160901392
  • Full Formula: La2 Si2 Ru2
  • Reduced Formula: LaSiRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -43.94651186
  • Final energy per atom: -7.324418643333334
  • 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.