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  1. Third-Parties
  2. MatprojStructure
  3. mp-6294

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-6294
  • 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: 20
  • Number of elements: 4
  • Element list: ['Sr', 'Er', 'Ru', 'O']
  • Chemical System: Er-O-Ru-Sr
  • Density: 6.432795481529091
  • Atomic Density: 0.07179704236677818
  • Unit Cell Volume: 278.56300678556045
  • Molar Volume: 8.387728186957402
  • Full Formula: Sr4 Er2 Ru2 O12
  • Reduced Formula: Sr2ErRuO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -151.37910229
  • Final energy per atom: -7.5689551145
  • 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.