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-37342
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ti', 'Be']
  • Chemical System: Be-Ti
  • Density: 4.28645083511832
  • Atomic Density: 0.06765761636192791
  • Unit Cell Volume: 118.24241571273764
  • Molar Volume: 8.900905890306772
  • Full Formula: Ti6 Be2
  • Reduced Formula: Ti3Be
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm