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  1. Third-Parties
  2. MatprojStructure
  3. mp-556097

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-556097
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Ru', 'O']
  • Chemical System: Li-Na-O-Ru
  • Density: 6.321266052718745
  • Atomic Density: 0.09570614167263565
  • Unit Cell Volume: 219.42165500549407
  • Molar Volume: 6.2923242487392566
  • Full Formula: Na1 Li2 Ru6 O12
  • Reduced Formula: NaLi2(RuO2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -151.90029061
  • Final energy per atom: -7.233347171904763
  • 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.