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-116089
  • 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: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Tl', 'F']
  • Chemical System: F-Tl-Zr
  • Density: 7.0421644292165
  • Atomic Density: 0.06013698755373582
  • Unit Cell Volume: 83.14350624118336
  • Molar Volume: 10.014037957286895
  • Full Formula: Zr1 Tl1 F3
  • Reduced Formula: ZrTlF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m