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-98841
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Al', 'H']
  • Chemical System: Al-H-K-Na
  • Density: 1.157912039386488
  • Atomic Density: 0.059040601134201495
  • Unit Cell Volume: 338.7499384455665
  • Molar Volume: 10.199999058802684
  • Full Formula: K2 Na4 Al2 H12
  • Reduced Formula: KNa2AlH6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2