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-81751
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Ag']
  • Chemical System: Ag-Ca-Li
  • Density: 2.6888706760983063
  • Atomic Density: 0.03322184205693372
  • Unit Cell Volume: 120.40271557323717
  • Molar Volume: 18.12705252670696
  • Full Formula: Li1 Ca2 Ag1
  • Reduced Formula: LiCa2Ag
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm