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-17696
  • 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: 9
  • Number of elements: 3
  • Element list: ['Pr', 'Sn', 'Pt']
  • Chemical System: Pr-Pt-Sn
  • Density: 10.639822336477227
  • Atomic Density: 0.04227464830651091
  • Unit Cell Volume: 212.89355111237836
  • Molar Volume: 14.245277018833303
  • Full Formula: Pr3 Sn3 Pt3
  • Reduced Formula: PrSnPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m