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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-59716
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-N-Na
  • Density: 1.9771852586160243
  • Atomic Density: 0.0592612935536817
  • Unit Cell Volume: 269.9907315642113
  • Molar Volume: 10.162013683594095
  • Full Formula: Na2 Fe1 Cu1 C6 N6
  • Reduced Formula: Na2FeCu(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m