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-589600
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 50
  • Number of elements: 1
  • Element list: ['B']
  • Chemical System: B
  • Density: 2.339997101551905
  • Atomic Density: 0.13034679426886883
  • Unit Cell Volume: 383.59209584290994
  • Molar Volume: 4.62009119117883
  • Full Formula: B50
  • Reduced Formula: B
  • Formula Anonymous: A
  • Spacegroup Number: 134
  • Spacegroup Symbol: P4_2/nnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm