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-117049
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Sn', 'N']
  • Chemical System: Ba-N-Sn
  • Density: 5.909740468176795
  • Atomic Density: 0.05011686512918533
  • Unit Cell Volume: 319.253807251453
  • Molar Volume: 12.016196033963492
  • Full Formula: Ba4 Sn4 N8
  • Reduced Formula: BaSnN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm