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-36003
  • 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: 4
  • Number of elements: 4
  • Element list: ['K', 'Na', 'I', 'Cl']
  • Chemical System: Cl-I-K-Na
  • Density: 2.826898990538683
  • Atomic Density: 0.030339624829827862
  • Unit Cell Volume: 131.84078651056592
  • Molar Volume: 19.84909435689343
  • Full Formula: K1 Na1 I1 Cl1
  • Reduced Formula: KNaICl
  • Formula Anonymous: ABCD
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm