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-9614
  • 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: 14
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'O']
  • Chemical System: B-O-Tl
  • Density: 7.811315062841877
  • Atomic Density: 0.0490038563236644
  • Unit Cell Volume: 285.69180163152333
  • Molar Volume: 12.289116024307367
  • Full Formula: Tl6 B2 O6
  • Reduced Formula: Tl3BO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m