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  1. Third-Parties
  2. MatprojStructure
  3. mp-711343

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-711343
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 7
  • Element list: ['H', 'Ru', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-O-Ru-S
  • Density: 1.3789819202968892
  • Atomic Density: 0.03760652642172134
  • Unit Cell Volume: 4467.309692898519
  • Molar Volume: 16.013552255444793
  • Full Formula: H16 Ru8 C64 S24 N8 Cl24 O24
  • Reduced Formula: H2RuC8S3N(ClO)3
  • Formula Anonymous: ABC2D3E3F3G8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -950.1031155
  • Final energy per atom: -5.655375687499999
  • 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.