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  1. Third-Parties
  2. MatprojStructure
  3. mp-562406

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-562406
  • 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: 122
  • Number of elements: 5
  • Element list: ['Co', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-N-O
  • Density: 1.7715432675078093
  • Atomic Density: 0.11094630405096732
  • Unit Cell Volume: 1099.6310426344148
  • Molar Volume: 5.427977805581974
  • Full Formula: Co4 H68 N24 Cl6 O20
  • Reduced Formula: Co2H34N12Cl3O10
  • Formula Anonymous: A2B3C10D12E34
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -646.68301149
  • Final energy per atom: -5.30068042204918
  • 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.