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  1. Third-Parties
  2. MatprojStructure
  3. mp-654887

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-654887
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 6
  • Element list: ['Co', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-Co-H-N-O-S
  • Density: 1.3200780704191102
  • Atomic Density: 0.08998935974863544
  • Unit Cell Volume: 1266.816436059027
  • Molar Volume: 6.692058679850001
  • Full Formula: Co2 H64 C16 S8 N4 O20
  • Reduced Formula: CoH32C8S4(NO5)2
  • Formula Anonymous: AB2C4D8E10F32
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -584.36254563
  • Final energy per atom: -5.125987242368421
  • 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.