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-86464
  • 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: 18
  • Number of elements: 3
  • Element list: ['Nd', 'Co', 'B']
  • Chemical System: B-Co-Nd
  • Density: 8.498549929235274
  • Atomic Density: 0.07548101583315192
  • Unit Cell Volume: 238.47055847510526
  • Molar Volume: 7.978351501404971
  • Full Formula: Nd3 Co13 B2
  • Reduced Formula: Nd3Co13B2
  • Formula Anonymous: A2B3C13
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm