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-56461
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'N']
  • Chemical System: Al-Ca-N
  • Density: 3.1679394041102116
  • Atomic Density: 0.07457957673369241
  • Unit Cell Volume: 241.35293854340472
  • Molar Volume: 8.074785381933403
  • Full Formula: Ca6 Al4 N8
  • Reduced Formula: Ca3(AlN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m