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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185420

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-1185420
  • 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: 5
  • Number of elements: 3
  • Element list: ['Li', 'Ru', 'O']
  • Chemical System: Li-O-Ru
  • Density: 4.593951862652347
  • Atomic Density: 0.08866600421999857
  • Unit Cell Volume: 56.39139875519791
  • Molar Volume: 6.791938819141811
  • Full Formula: Li1 Ru1 O3
  • Reduced Formula: LiRuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -33.31697319
  • Final energy per atom: -6.663394638
  • 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.