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-10968
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Sn', 'Se']
  • Chemical System: Ba-Cu-Se-Sn
  • Density: 5.368826899623852
  • Atomic Density: 0.037005167687588346
  • Unit Cell Volume: 432.3720442257705
  • Molar Volume: 16.273783193853344
  • Full Formula: Ba2 Cu4 Sn2 Se8
  • Reduced Formula: BaCu2SnSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2