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-2988
  • 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: 6
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'As']
  • Chemical System: As-Be-Li
  • Density: 3.4829123281625964
  • Atomic Density: 0.06924227329265947
  • Unit Cell Volume: 86.65226767816235
  • Molar Volume: 8.697202552184867
  • Full Formula: Li2 Be2 As2
  • Reduced Formula: LiBeAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm