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  1. Third-Parties
  2. MatprojStructure
  3. mp-555258

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-555258
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Ru', 'O']
  • Chemical System: Ba-Na-O-Ru
  • Density: 5.7790594887272935
  • Atomic Density: 0.06683280722862539
  • Unit Cell Volume: 1795.5253561248342
  • Molar Volume: 9.010755360610732
  • Full Formula: Ba24 Na8 Ru16 O72
  • Reduced Formula: Ba3NaRu2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -831.69983074
  • Final energy per atom: -6.930831922833334
  • 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.