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-1350830
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Cr', 'F', 'In', 'Na']
  • Chemical System: Cr-F-In-Na
  • Density: 4.412808909798355
  • Atomic Density: 0.07130315715933241
  • Unit Cell Volume: 1121.969954587478
  • Molar Volume: 8.445826243770751
  • Full Formula: Na12 Cr8 In12 F48
  • Reduced Formula: Na3Cr2In3F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m