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-71798
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'Se']
  • Chemical System: Be-Li-Se
  • Density: 2.9699453053828044
  • Atomic Density: 0.07023934936592888
  • Unit Cell Volume: 56.94813571180782
  • Molar Volume: 8.573742231902237
  • Full Formula: Li2 Be1 Se1
  • Reduced Formula: Li2BeSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2