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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-305418
  • Created at: Sept. 4, 2022, 2:59 p.m.
  • Last updated at: Sept. 4, 2022, 2:59 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['B', 'Fe']
  • Chemical System: B-Fe
  • Density: 7.221079078114529
  • Atomic Density: 0.13047994077809855
  • Unit Cell Volume: 15.328026576907416
  • Molar Volume: 4.615376680957872
  • Full Formula: Fe1 B1
  • Reduced Formula: FeB
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m