Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226333

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-1226333
  • 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: 23
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O
  • Density: 1.5285992410290496
  • Atomic Density: 0.08299693685143256
  • Unit Cell Volume: 277.118660911195
  • Molar Volume: 7.255859057521416
  • Full Formula: Co1 H8 C6 N6 O2
  • Reduced Formula: CoH8C6(N3O)2
  • Formula Anonymous: AB2C6D6E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -154.12884992
  • Final energy per atom: -6.701254344347825
  • 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.