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-75707
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Fe', 'As', 'Se']
  • Chemical System: As-Fe-Se
  • Density: 7.038030606261272
  • Atomic Density: 0.06383816793473479
  • Unit Cell Volume: 62.65843976113814
  • Molar Volume: 9.433448601088866
  • Full Formula: Fe2 As1 Se1
  • Reduced Formula: Fe2AsSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m