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-86833
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Li', 'Sn', 'Pd']
  • Chemical System: Li-Pd-Sn
  • Density: 7.705842673096414
  • Atomic Density: 0.04481037029600014
  • Unit Cell Volume: 401.69273052418214
  • Molar Volume: 13.439167586029853
  • Full Formula: Li2 Sn12 Pd4
  • Reduced Formula: Li(Sn3Pd)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm