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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1723680
  • Created at: Sept. 4, 2022, 4:01 p.m.
  • Last updated at: Sept. 4, 2022, 4:01 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'H']
  • Chemical System: Cr-Fe-H
  • Density: 5.617543161002611
  • Atomic Density: 0.17937902085561466
  • Unit Cell Volume: 50.173091351882555
  • Molar Volume: 3.3572157609486157
  • Full Formula: Cr1 Fe2 H6
  • Reduced Formula: Cr(FeH3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m