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-118436
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sr', 'H', 'I']
  • Chemical System: H-I-Sr
  • Density: 4.556078194442013
  • Atomic Density: 0.038190095229731165
  • Unit Cell Volume: 157.10879912467388
  • Molar Volume: 15.768855049389183
  • Full Formula: Sr2 H2 I2
  • Reduced Formula: SrHI
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm