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  1. Third-Parties
  2. MatprojStructure
  3. mp-734828

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-734828
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Ru', 'C', 'O']
  • Chemical System: C-Co-H-O-Ru
  • Density: 2.422528668270526
  • Atomic Density: 0.06218396679077821
  • Unit Cell Volume: 1994.0831439268848
  • Molar Volume: 9.68439466118632
  • Full Formula: Co4 H4 Ru12 C52 O52
  • Reduced Formula: CoHRu3(CO)13
  • Formula Anonymous: ABC3D13E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -999.82628918
  • Final energy per atom: -8.06311523532258
  • 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.