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-29961
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Nd', 'Pb', 'F']
  • Chemical System: F-Nd-Pb
  • Density: 7.698129981495054
  • Atomic Density: 0.060017164204392515
  • Unit Cell Volume: 466.5332054784212
  • Molar Volume: 10.034030830732341
  • Full Formula: Nd1 Pb8 F19
  • Reduced Formula: NdPb8F19
  • Formula Anonymous: AB8C19
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1