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-120469
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Sc', 'Be', 'B', 'Ir']
  • Chemical System: B-Be-Ir-Sc
  • Density: 13.887940885463935
  • Atomic Density: 0.0773231669985294
  • Unit Cell Volume: 258.6546927181653
  • Molar Volume: 7.788274838916693
  • Full Formula: Sc4 Be2 B4 Ir10
  • Reduced Formula: Sc2BeB2Ir5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm