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-15976
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Ge']
  • Chemical System: Ba-Ge-Mg
  • Density: 4.401622652721105
  • Atomic Density: 0.04001484102001319
  • Unit Cell Volume: 124.95363901356698
  • Molar Volume: 15.049768052278559
  • Full Formula: Ba1 Mg2 Ge2
  • Reduced Formula: Ba(MgGe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm