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-60852
  • 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: 11
  • Number of elements: 3
  • Element list: ['Nd', 'Ni', 'B']
  • Chemical System: B-Nd-Ni
  • Density: 7.520555377077921
  • Atomic Density: 0.07968526203627387
  • Unit Cell Volume: 138.04309252308968
  • Molar Volume: 7.557408491997724
  • Full Formula: Nd2 Ni5 B4
  • Reduced Formula: Nd2Ni5B4
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m