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-100052
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Sn', 'N']
  • Chemical System: Ba-N-Sn
  • Density: 6.420841513508707
  • Atomic Density: 0.0544511979639718
  • Unit Cell Volume: 146.92055086268778
  • Molar Volume: 11.059702972898066
  • Full Formula: Ba2 Sn2 N4
  • Reduced Formula: BaSnN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm