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  1. Third-Parties
  2. MatprojStructure
  3. mp-22472

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-22472
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Ru', 'O']
  • Chemical System: Ba-Cu-O-Ru
  • Density: 6.3552704193788205
  • Atomic Density: 0.06986878730840579
  • Unit Cell Volume: 429.3762802491171
  • Molar Volume: 8.61921466221797
  • Full Formula: Ba6 Cu2 Ru4 O18
  • Reduced Formula: Ba3CuRu2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -209.40225434
  • Final energy per atom: -6.980075144666667
  • 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.