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-29655
  • 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', 'Br']
  • Chemical System: Br-Ti
  • Density: 4.437489000944754
  • Atomic Density: 0.03716986761046674
  • Unit Cell Volume: 215.22810045595276
  • Molar Volume: 16.201673955664596
  • Full Formula: Ti2 Br6
  • Reduced Formula: TiBr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3