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-78417
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Tl', 'C']
  • Chemical System: C-Tl
  • Density: 9.837502247289589
  • Atomic Density: 0.05475458957315571
  • Unit Cell Volume: 36.526618418495666
  • Molar Volume: 10.998421880149474
  • Full Formula: Tl1 C1
  • Reduced Formula: TlC
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm