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-87013
  • 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: 10
  • Number of elements: 2
  • Element list: ['Pd', 'S']
  • Chemical System: Pd-S
  • Density: 9.986790769163985
  • Atomic Density: 0.0656936283010824
  • Unit Cell Volume: 152.22176425038828
  • Molar Volume: 9.167008910513742
  • Full Formula: Pd8 S2
  • Reduced Formula: Pd4S
  • Formula Anonymous: AB4
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m