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-34417
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ba', 'Si', 'N', 'O']
  • Chemical System: Ba-N-O-Si
  • Density: 4.097162682830391
  • Atomic Density: 0.06954650591459337
  • Unit Cell Volume: 316.3350870138194
  • Molar Volume: 8.659156460563947
  • Full Formula: Ba3 Si6 N4 O9
  • Reduced Formula: Ba3Si6N4O9
  • Formula Anonymous: A3B4C6D9
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3