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-63283
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Y', 'Ni', 'B']
  • Chemical System: B-Ni-Y
  • Density: 5.942023573366597
  • Atomic Density: 0.09399720604067341
  • Unit Cell Volume: 117.0247549192069
  • Molar Volume: 6.40672315025424
  • Full Formula: Y2 Ni3 B6
  • Reduced Formula: Y2(NiB2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm