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-102368
  • 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: 10
  • Number of elements: 3
  • Element list: ['Na', 'Y', 'Cl']
  • Chemical System: Cl-Na-Y
  • Density: 2.1406835281120933
  • Atomic Density: 0.034786118579461865
  • Unit Cell Volume: 287.47099154385444
  • Molar Volume: 17.311907754938613
  • Full Formula: Na3 Y1 Cl6
  • Reduced Formula: Na3YCl6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m