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  1. Third-Parties
  2. MatprojStructure
  3. mp-642847

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-642847
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Li', 'H', 'Ru']
  • Chemical System: H-Li-Ru
  • Density: 2.3522608310179374
  • Atomic Density: 0.11552506639800592
  • Unit Cell Volume: 190.43486133308764
  • Molar Volume: 5.212843366176978
  • Full Formula: Li8 H12 Ru2
  • Reduced Formula: Li4H6Ru
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -85.93677242
  • Final energy per atom: -3.906216928181818
  • 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.