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-14063
  • 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: 20
  • Number of elements: 3
  • Element list: ['K', 'Hg', 'F']
  • Chemical System: F-Hg-K
  • Density: 5.182133962306109
  • Atomic Density: 0.05259399184512104
  • Unit Cell Volume: 380.2715728233001
  • Molar Volume: 11.450244692842519
  • Full Formula: K4 Hg4 F12
  • Reduced Formula: KHgF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m