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-38562
  • 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: 8
  • Number of elements: 2
  • Element list: ['Nd', 'Sc']
  • Chemical System: Nd-Sc
  • Density: 4.3562811966593795
  • Atomic Density: 0.037596880626894334
  • Unit Cell Volume: 212.78361041147988
  • Molar Volume: 16.017660666486666
  • Full Formula: Nd2 Sc6
  • Reduced Formula: NdSc3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm