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  1. Third-Parties
  2. MatprojStructure
  3. mp-707803

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-707803
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['Cs', 'H', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cs-H-N-O-Ru
  • Density: 3.0019368325324485
  • Atomic Density: 0.04740374369743366
  • Unit Cell Volume: 1350.1043379294288
  • Molar Volume: 12.703934943277543
  • Full Formula: Cs8 H16 Ru4 N4 Cl20 O12
  • Reduced Formula: Cs2H4RuNCl5O3
  • Formula Anonymous: ABC2D3E4F5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -318.29471778
  • Final energy per atom: -4.9733549653125
  • 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.