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-21106
  • 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: 12
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Pt']
  • Chemical System: B-Pt-Y
  • Density: 12.325181658174001
  • Atomic Density: 0.06060524538674284
  • Unit Cell Volume: 198.00266335733627
  • Molar Volume: 9.93666591327311
  • Full Formula: Y3 B3 Pt6
  • Reduced Formula: YBPt2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 180
  • Spacegroup Symbol: P6_222
  • Crystal System: hexagonal
  • Pointgroup: 622