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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208962

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-1208962
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Sm', 'Ni', 'Ru', 'O']
  • Chemical System: Ni-O-Ru-Sm
  • Density: 7.637272809698719
  • Atomic Density: 0.08264941853849948
  • Unit Cell Volume: 241.98597344860528
  • Molar Volume: 7.2863679702656174
  • Full Formula: Sm4 Ni2 Ru2 O12
  • Reduced Formula: Sm2NiRuO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -160.51212757999997
  • Final energy per atom: -8.025606379
  • 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.