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  1. Third-Parties
  2. MatprojStructure
  3. mp-728942

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-728942
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Ru', 'C', 'O']
  • Chemical System: C-Co-H-O-Ru
  • Density: 2.407966815279359
  • Atomic Density: 0.06610009415742966
  • Unit Cell Volume: 1815.4285788791417
  • Molar Volume: 9.110638701447462
  • Full Formula: Co8 H8 Ru8 C48 O48
  • Reduced Formula: CoHRu(CO)6
  • Formula Anonymous: ABCD6E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -936.68553447
  • Final energy per atom: -7.80571278725
  • 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.