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-117786
  • 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: 3
  • Number of elements: 2
  • Element list: ['I', 'Br']
  • Chemical System: Br-I
  • Density: 3.9047620357929453
  • Atomic Density: 0.02460481745559469
  • Unit Cell Volume: 121.92734229441943
  • Molar Volume: 24.475453926323176
  • Full Formula: I1 Br2
  • Reduced Formula: IBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm