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-121134
  • 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: 2
  • Number of elements: 2
  • Element list: ['I', 'F']
  • Chemical System: F-I
  • Density: 3.034252524667383
  • Atomic Density: 0.025047753221691876
  • Unit Cell Volume: 79.84748102148971
  • Molar Volume: 24.042638502141987
  • Full Formula: I1 F1
  • Reduced Formula: IF
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm