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-16460
  • 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: 6
  • Number of elements: 2
  • Element list: ['Sc', 'Be']
  • Chemical System: Be-Sc
  • Density: 2.401666024791766
  • Atomic Density: 0.09640312028436526
  • Unit Cell Volume: 62.23864935389529
  • Molar Volume: 6.246831785357341
  • Full Formula: Sc1 Be5
  • Reduced Formula: ScBe5
  • Formula Anonymous: AB5
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm