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-86739
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Fe', 'Ag', 'C', 'N']
  • Chemical System: Ag-C-Fe-N
  • Density: 3.2474082197137824
  • Atomic Density: 0.058425777900434045
  • Unit Cell Volume: 273.851723930254
  • Molar Volume: 10.307335180479065
  • Full Formula: Fe1 Ag3 C6 N6
  • Reduced Formula: FeAg3(CN)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m