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-73957
  • 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: ['Ti', 'Be', 'Pb']
  • Chemical System: Be-Pb-Ti
  • Density: 7.337938830343436
  • Atomic Density: 0.0566637491846194
  • Unit Cell Volume: 70.59186971492781
  • Molar Volume: 10.627854398371909
  • Full Formula: Ti2 Be1 Pb1
  • Reduced Formula: Ti2BePb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm