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-105008
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['K', 'Tl', 'Cl']
  • Chemical System: Cl-K-Tl
  • Density: 3.442734534579276
  • Atomic Density: 0.029631540726997155
  • Unit Cell Volume: 337.47823281052166
  • Molar Volume: 20.323414214210118
  • Full Formula: K2 Tl2 Cl6
  • Reduced Formula: KTlCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m