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-120418
  • 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: 26
  • Number of elements: 3
  • Element list: ['Na', 'La', 'Cl']
  • Chemical System: Cl-La-Na
  • Density: 3.6081587107833104
  • Atomic Density: 0.04030603686410228
  • Unit Cell Volume: 645.0646608512471
  • Molar Volume: 14.941039180568737
  • Full Formula: Na3 La5 Cl18
  • Reduced Formula: Na3La5Cl18
  • Formula Anonymous: A3B5C18
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6