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-118242
  • 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: ['Sn', 'I', 'F']
  • Chemical System: F-I-Sn
  • Density: 5.727034132234999
  • Atomic Density: 0.039101278720663116
  • Unit Cell Volume: 153.44766709200468
  • Molar Volume: 15.401390842027869
  • Full Formula: Sn2 I2 F2
  • Reduced Formula: SnIF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm