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-86978
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Nb', 'As', 'Pd']
  • Chemical System: As-Nb-Pd
  • Density: 9.163347934653157
  • Atomic Density: 0.060289070459827225
  • Unit Cell Volume: 215.62780618192426
  • Molar Volume: 9.988776927673431
  • Full Formula: Nb5 As4 Pd4
  • Reduced Formula: Nb5(AsPd)4
  • Formula Anonymous: A4B4C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m