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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229333

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-1229333
  • 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: 76
  • Number of elements: 4
  • Element list: ['Ba', 'Ga', 'Ru', 'O']
  • Chemical System: Ba-Ga-O-Ru
  • Density: 5.898055069105686
  • Atomic Density: 0.05989940565412395
  • Unit Cell Volume: 1268.79389152616
  • Molar Volume: 10.053757118682508
  • Full Formula: Ba20 Ga5 Ru7 O44
  • Reduced Formula: Ba20Ga5Ru7O44
  • Formula Anonymous: A5B7C20D44
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -526.65528404
  • Final energy per atom: -6.92967479
  • 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.