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-56376
  • 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: 13
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'Cl']
  • Chemical System: Cl-Na-Ti
  • Density: 2.820723584645637
  • Atomic Density: 0.04666657020694551
  • Unit Cell Volume: 278.5720043780971
  • Molar Volume: 12.904614016617208
  • Full Formula: Na2 Ti3 Cl8
  • Reduced Formula: Na2Ti3Cl8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m