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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245358

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-1245358
  • 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: 96
  • Number of elements: 3
  • Element list: ['Li', 'Ru', 'N']
  • Chemical System: Li-N-Ru
  • Density: 2.931026769585325
  • Atomic Density: 0.10297975309987899
  • Unit Cell Volume: 932.2220835671513
  • Molar Volume: 5.847888132106112
  • Full Formula: Li56 Ru8 N32
  • Reduced Formula: Li7RuN4
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -492.14870951
  • Final energy per atom: -5.126549057395834
  • 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.