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-70450
  • 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: ['Y', 'Be', 'Fe']
  • Chemical System: Be-Fe-Y
  • Density: 4.825307979292818
  • Atomic Density: 0.07140812942612891
  • Unit Cell Volume: 56.01603111782903
  • Molar Volume: 8.433410605202665
  • Full Formula: Y1 Be2 Fe1
  • Reduced Formula: YBe2Fe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm