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-17282
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ni', 'B']
  • Chemical System: B-Ni
  • Density: 7.094206620407101
  • Atomic Density: 0.12293411888565145
  • Unit Cell Volume: 32.53775303600333
  • Molar Volume: 4.898673219923235
  • Full Formula: Ni2 B2
  • Reduced Formula: NiB
  • Formula Anonymous: AB
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm