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  1. Third-Parties
  2. MatprojStructure
  3. mp-720808

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-720808
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['H', 'Ru', 'C', 'O']
  • Chemical System: C-H-O-Ru
  • Density: 2.7223264021970066
  • Atomic Density: 0.0634845072134873
  • Unit Cell Volume: 1323.1574708065807
  • Molar Volume: 9.486000639098595
  • Full Formula: H4 Ru12 C34 O34
  • Reduced Formula: H2Ru6(CO)17
  • Formula Anonymous: A2B6C17D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -679.86562681
  • Final energy per atom: -8.093638414404762
  • 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.