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-90364
  • 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: 9
  • Number of elements: 3
  • Element list: ['Sm', 'Tl', 'Pd']
  • Chemical System: Pd-Sm-Tl
  • Density: 11.012594131743365
  • Atomic Density: 0.043142673333086405
  • Unit Cell Volume: 208.61016030496745
  • Molar Volume: 13.958663881363094
  • Full Formula: Sm3 Tl3 Pd3
  • Reduced Formula: SmTlPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m