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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219841

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-1219841
  • 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: 27
  • Number of elements: 5
  • Element list: ['Ru', 'Au', 'N', 'Cl', 'O']
  • Chemical System: Au-Cl-N-O-Ru
  • Density: 2.834267374895948
  • Atomic Density: 0.03913512352554779
  • Unit Cell Volume: 689.9173317384355
  • Molar Volume: 15.388071424046199
  • Full Formula: Ru2 Au2 N10 Cl12 O1
  • Reduced Formula: Ru2Au2N10Cl12O
  • Formula Anonymous: AB2C2D10E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -119.10700922
  • Final energy per atom: -4.411370711851852
  • 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.