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-63705
  • 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: 12
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'W']
  • Chemical System: B-Fe-W
  • Density: 13.334284415323017
  • Atomic Density: 0.09617032333135037
  • Unit Cell Volume: 124.77861760591736
  • Molar Volume: 6.261953325508737
  • Full Formula: Fe4 B4 W4
  • Reduced Formula: FeBW
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm