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  1. Third-Parties
  2. MatprojStructure
  3. mp-39259

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-39259
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Zn', 'Ru', 'O']
  • Chemical System: Ba-La-O-Ru-Zn
  • Density: 6.726292014624975
  • Atomic Density: 0.07519228801861355
  • Unit Cell Volume: 132.99236216252044
  • Molar Volume: 8.008987249475961
  • Full Formula: Ba1 La1 Zn1 Ru1 O6
  • Reduced Formula: BaLaZnRuO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -71.77830712
  • Final energy per atom: -7.177830712
  • 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.