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-118789
  • 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: 3
  • Number of elements: 3
  • Element list: ['Na', 'Pd', 'S']
  • Chemical System: Na-Pd-S
  • Density: 4.993379925134351
  • Atomic Density: 0.055867867633671894
  • Unit Cell Volume: 53.69812965963072
  • Molar Volume: 10.77925651196757
  • Full Formula: Na1 Pd1 S1
  • Reduced Formula: NaPdS
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2