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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205266

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-1205266
  • 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: 90
  • Number of elements: 5
  • Element list: ['Ba', 'H', 'Ru', 'Cl', 'O']
  • Chemical System: Ba-Cl-H-O-Ru
  • Density: 2.689733156752694
  • Atomic Density: 0.07094157759645128
  • Unit Cell Volume: 1268.649543036129
  • Molar Volume: 8.488873470303608
  • Full Formula: Ba4 H40 Ru4 Cl20 O22
  • Reduced Formula: Ba2H20Ru2Cl10O11
  • Formula Anonymous: A2B2C10D11E20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -457.3128274
  • Final energy per atom: -5.0812536377777775
  • 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.