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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196364

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-1196364
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['Rb', 'H', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Rb-Ru
  • Density: 2.1108262611805553
  • Atomic Density: 0.08648522996958778
  • Unit Cell Volume: 439.3813835421674
  • Molar Volume: 6.963201418459156
  • Full Formula: Rb1 H18 Ru1 N6 Cl4 O8
  • Reduced Formula: RbH18RuN6(ClO2)4
  • Formula Anonymous: ABC4D6E8F18
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -195.06478421
  • Final energy per atom: -5.133283795
  • 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.