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-17321
  • 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: 7
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'Mo']
  • Chemical System: B-Fe-Mo
  • Density: 7.1370151549364875
  • Atomic Density: 0.11992504970181693
  • Unit Cell Volume: 58.36979027655092
  • Molar Volume: 5.0215870453867
  • Full Formula: Fe2 B4 Mo1
  • Reduced Formula: Fe2B4Mo
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm