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-85799
  • 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: 16
  • Number of elements: 2
  • Element list: ['H', 'I']
  • Chemical System: H-I
  • Density: 3.7864732439629143
  • Atomic Density: 0.03565357711108501
  • Unit Cell Volume: 448.7628254003568
  • Molar Volume: 16.890705640101576
  • Full Formula: H8 I8
  • Reduced Formula: HI
  • Formula Anonymous: AB
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m