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-59548
  • 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: 24
  • Number of elements: 2
  • Element list: ['Nd', 'F']
  • Chemical System: F-Nd
  • Density: 6.436403561884625
  • Atomic Density: 0.07704525088232896
  • Unit Cell Volume: 311.5052482164689
  • Molar Volume: 7.816368550992977
  • Full Formula: Nd6 F18
  • Reduced Formula: NdF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm