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-97769
  • 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: 18
  • Number of elements: 3
  • Element list: ['La', 'Ti', 'Sb']
  • Chemical System: La-Sb-Ti
  • Density: 7.059894138661927
  • Atomic Density: 0.03564812748649826
  • Unit Cell Volume: 504.9353575953606
  • Molar Volume: 16.893287767445536
  • Full Formula: La6 Ti2 Sb10
  • Reduced Formula: La3TiSb5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm