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-16709
  • 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: 5
  • Number of elements: 3
  • Element list: ['Nd', 'As', 'Pd']
  • Chemical System: As-Nd-Pd
  • Density: 8.613732956172568
  • Atomic Density: 0.051164464056085934
  • Unit Cell Volume: 97.72407650980286
  • Molar Volume: 11.770162887660847
  • Full Formula: Nd1 As2 Pd2
  • Reduced Formula: Nd(AsPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm