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  1. Third-Parties
  2. MatprojStructure
  3. mp-707771

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-707771
  • 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: 104
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Ru
  • Density: 2.3338588286030864
  • Atomic Density: 0.060322296355798985
  • Unit Cell Volume: 1724.072296362473
  • Molar Volume: 9.983275047222355
  • Full Formula: H12 Ru12 C40 Cl4 O36
  • Reduced Formula: H3Ru3C10ClO9
  • Formula Anonymous: AB3C3D9E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -790.3137436000001
  • Final energy per atom: -7.5991706115384625
  • 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.