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  1. Third-Parties
  2. MatprojStructure
  3. mp-696766

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-696766
  • 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: 42
  • Number of elements: 4
  • Element list: ['Co', 'H', 'Cl', 'O']
  • Chemical System: Cl-Co-H-O
  • Density: 1.872352442724471
  • Atomic Density: 0.0995192277137539
  • Unit Cell Volume: 422.0289984645395
  • Molar Volume: 6.05123341322686
  • Full Formula: Co2 H24 Cl4 O12
  • Reduced Formula: CoH12(ClO3)2
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -215.13597096000004
  • Final energy per atom: -5.1222850228571435
  • 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.