Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199782

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-1199782
  • 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: 148
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O
  • Density: 1.8403776656889688
  • Atomic Density: 0.11417520955600786
  • Unit Cell Volume: 1296.253368621142
  • Molar Volume: 5.274473139500461
  • Full Formula: Co4 H64 C24 N24 O32
  • Reduced Formula: CoH16C6(N3O4)2
  • Formula Anonymous: AB6C6D8E16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -901.64844128
  • Final energy per atom: -6.092219197837838
  • 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.