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-69022
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sn', 'Se']
  • Chemical System: Ba-Se-Sn
  • Density: 5.475591594974707
  • Atomic Density: 0.027925562402593116
  • Unit Cell Volume: 143.23793885807532
  • Molar Volume: 21.564975749390083
  • Full Formula: Ba2 Sn1 Se1
  • Reduced Formula: Ba2SnSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m