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-56203
  • 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: 7
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Mg', 'Ge']
  • Chemical System: Ba-Ge-Li-Mg
  • Density: 3.595936331571272
  • Atomic Density: 0.043925552760635846
  • Unit Cell Volume: 159.360544377101
  • Molar Volume: 13.709880426130411
  • Full Formula: Ba1 Li2 Mg2 Ge2
  • Reduced Formula: BaLi2(MgGe)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m