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-34444
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sn', 'I', 'F']
  • Chemical System: F-I-Sn
  • Density: 5.102672254570712
  • Atomic Density: 0.04376108508716905
  • Unit Cell Volume: 274.2162351801111
  • Molar Volume: 13.761406391099106
  • Full Formula: Sn4 I2 F6
  • Reduced Formula: Sn2IF3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm