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-26934
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ni', 'P', 'S']
  • Chemical System: Ni-P-S
  • Density: 4.650447909998354
  • Atomic Density: 0.06901787858019655
  • Unit Cell Volume: 173.86799256740971
  • Molar Volume: 8.725479374163127
  • Full Formula: Ni4 P4 S4
  • Reduced Formula: NiPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23