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-122078
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 29
  • Number of elements: 2
  • Element list: ['Fe', 'C']
  • Chemical System: C-Fe
  • Density: 8.062482852066417
  • Atomic Density: 0.10380019333467118
  • Unit Cell Volume: 279.38290930247683
  • Molar Volume: 5.801666226751135
  • Full Formula: Fe23 C6
  • Reduced Formula: Fe23C6
  • Formula Anonymous: A6B23
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m