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  1. Third-Parties
  2. MatprojStructure
  3. mp-694994

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-694994
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Co', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-N-O
  • Density: 1.604983272535177
  • Atomic Density: 0.09041930063134694
  • Unit Cell Volume: 464.5025974182249
  • Molar Volume: 6.660238154852769
  • Full Formula: Co1 H22 N7 Cl4 O8
  • Reduced Formula: CoH22N7(ClO2)4
  • Formula Anonymous: AB4C7D8E22
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -205.78546192
  • Final energy per atom: -4.899653855238095
  • 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.