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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198550

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-1198550
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O
  • Density: 1.9033055025875345
  • Atomic Density: 0.11308723607510991
  • Unit Cell Volume: 795.8457835172848
  • Molar Volume: 5.325217035103973
  • Full Formula: Co4 H44 C2 N16 O24
  • Reduced Formula: Co2H22C(N2O3)4
  • Formula Anonymous: AB2C8D12E22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -526.93910333
  • Final energy per atom: -5.8548789258888885
  • 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.