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-68046
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Sc', 'Be']
  • Chemical System: Be-K-Sc
  • Density: 2.1008968163853763
  • Atomic Density: 0.036666236702003335
  • Unit Cell Volume: 109.09218833961904
  • Molar Volume: 16.424212849940414
  • Full Formula: K1 Sc2 Be1
  • Reduced Formula: KSc2Be
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm