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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196618

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-1196618
  • 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: 184
  • Number of elements: 5
  • Element list: ['Co', 'B', 'H', 'C', 'Cl']
  • Chemical System: B-C-Cl-Co-H
  • Density: 1.1765884550021237
  • Atomic Density: 0.08082859727536348
  • Unit Cell Volume: 2276.422036289415
  • Molar Volume: 7.450507571576459
  • Full Formula: Co4 B40 H84 C48 Cl8
  • Reduced Formula: CoB10H21(C6Cl)2
  • Formula Anonymous: AB2C10D12E21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1057.20970836
  • Final energy per atom: -5.74570493673913
  • 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.