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  1. Third-Parties
  2. MatprojStructure
  3. mp-734885

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-734885
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O
  • Density: 1.6579490298808122
  • Atomic Density: 0.106499424408634
  • Unit Cell Volume: 657.2805476526598
  • Molar Volume: 5.654622823963151
  • Full Formula: Co2 H34 C2 N16 O16
  • Reduced Formula: CoH17C(NO)8
  • Formula Anonymous: ABC8D8E17
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -412.47342872
  • Final energy per atom: -5.892477553142857
  • 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.