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-100897
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'Au', 'F']
  • Chemical System: Au-Cu-F-K
  • Density: 4.974765425629619
  • Atomic Density: 0.0661779653270645
  • Unit Cell Volume: 151.10769801667422
  • Molar Volume: 9.099918273759851
  • Full Formula: K2 Cu1 Au1 F6
  • Reduced Formula: K2CuAuF6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m