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-57863
  • 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: 11
  • Number of elements: 3
  • Element list: ['Al', 'C', 'N']
  • Chemical System: Al-C-N
  • Density: 2.983738069618139
  • Atomic Density: 0.08748252018488113
  • Unit Cell Volume: 125.73940458908999
  • Molar Volume: 6.883821759218998
  • Full Formula: Al6 C3 N2
  • Reduced Formula: Al6C3N2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m