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-68454
  • 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', 'Cl']
  • Chemical System: Be-Cl-Li
  • Density: 1.3240202084800996
  • Atomic Density: 0.054662013101555815
  • Unit Cell Volume: 73.17696098327835
  • Molar Volume: 11.017048985758255
  • Full Formula: Li2 Be1 Cl1
  • Reduced Formula: Li2BeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2