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-59538
  • 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: 17
  • Number of elements: 2
  • Element list: ['Fe', 'As']
  • Chemical System: As-Fe
  • Density: 8.168050586235964
  • Atomic Density: 0.08003992891069499
  • Unit Cell Volume: 212.39399174089533
  • Molar Volume: 7.523920675540878
  • Full Formula: Fe12 As5
  • Reduced Formula: Fe12As5
  • Formula Anonymous: A5B12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32