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-67743
  • 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: ['Mg', 'Be', 'Ru']
  • Chemical System: Be-Mg-Ru
  • Density: 7.347560397569022
  • Atomic Density: 0.07516957876791949
  • Unit Cell Volume: 53.21301603072307
  • Molar Volume: 8.01140682002877
  • Full Formula: Mg1 Be1 Ru2
  • Reduced Formula: MgBeRu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m