Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-95533
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['Li', 'Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-Li-N-O
  • Density: 1.7298072556757011
  • Atomic Density: 0.1147550865340203
  • Unit Cell Volume: 470.5673764098566
  • Molar Volume: 5.247820329266778
  • Full Formula: Li1 Co1 H24 C8 N8 O12
  • Reduced Formula: LiCoH24C8(N2O3)4
  • Formula Anonymous: ABC8D8E12F24
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1