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-112005
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['H', 'C', 'N']
  • Chemical System: C-H-N
  • Density: 1.3727700770996043
  • Atomic Density: 0.11403839604427166
  • Unit Cell Volume: 438.4488184189222
  • Molar Volume: 5.280801001148861
  • Full Formula: H22 C26 N2
  • Reduced Formula: H11C13N
  • Formula Anonymous: AB11C13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1