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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182699

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-1182699
  • 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: 88
  • Number of elements: 5
  • Element list: ['Co', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-Co-N-O
  • Density: 1.585951346059669
  • Atomic Density: 0.04255592527710137
  • Unit Cell Volume: 2067.867151918121
  • Molar Volume: 14.151121661171853
  • Full Formula: Co8 C4 N36 Cl16 O24
  • Reduced Formula: Co2CN9(Cl2O3)2
  • Formula Anonymous: AB2C4D6E9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -487.95003747
  • Final energy per atom: -5.544886789431818
  • 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.