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-54498
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'Cl']
  • Chemical System: Cl-Na-Zn
  • Density: 2.4171773363144715
  • Atomic Density: 0.040243230027427614
  • Unit Cell Volume: 695.7692009542154
  • Molar Volume: 14.964357373639327
  • Full Formula: Na8 Zn4 Cl16
  • Reduced Formula: Na2ZnCl4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm