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-59650
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Sn', 'Pt']
  • Chemical System: Nd-Pt-Sn
  • Density: 10.812245586178564
  • Atomic Density: 0.042646996005220754
  • Unit Cell Volume: 281.37972481182464
  • Molar Volume: 14.120902581890604
  • Full Formula: Nd4 Sn4 Pt4
  • Reduced Formula: NdSnPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm