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-402268
  • Created at: Sept. 4, 2022, 2:56 p.m.
  • Last updated at: Sept. 4, 2022, 2:56 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ac', 'B', 'Fe']
  • Chemical System: Ac-B-Fe
  • Density: 8.880295711324232
  • Atomic Density: 0.04108539287552614
  • Unit Cell Volume: 97.358202515394
  • Molar Volume: 14.657619992207218
  • Full Formula: Ac2 Fe1 B1
  • Reduced Formula: Ac2FeB
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m