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  1. Third-Parties
  2. MatprojStructure
  3. mp-735424

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-735424
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 6
  • Element list: ['Ru', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Ru-S
  • Density: 1.9900437393179957
  • Atomic Density: 0.04574362960312303
  • Unit Cell Volume: 1880.0432048384846
  • Molar Volume: 13.16498234234752
  • Full Formula: Ru4 C14 S20 N20 Cl16 O12
  • Reduced Formula: Ru2C7S10N10(Cl4O3)2
  • Formula Anonymous: A2B6C7D8E10F10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -533.2837310699999
  • Final energy per atom: -6.200973617093022
  • 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.