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-92701
  • 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: ['Er', 'Mg', 'Ru']
  • Chemical System: Er-Mg-Ru
  • Density: 6.94339646542155
  • Atomic Density: 0.043178731512423754
  • Unit Cell Volume: 115.79775099602816
  • Molar Volume: 13.947007123790236
  • Full Formula: Er2 Mg2 Ru1
  • Reduced Formula: Er2Mg2Ru
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm