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-36001
  • 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: ['Na', 'Li', 'I', 'Cl']
  • Chemical System: Cl-I-Li-Na
  • Density: 3.189759086037786
  • Atomic Density: 0.0399591327793592
  • Unit Cell Volume: 100.10227254146496
  • Molar Volume: 15.07074939101462
  • Full Formula: Na1 Li1 I1 Cl1
  • Reduced Formula: NaLiICl
  • Formula Anonymous: ABCD
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm