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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-101066
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Sn', 'I', 'F']
  • Chemical System: F-I-Sn
  • Density: 5.633757947040645
  • Atomic Density: 0.042164416060909995
  • Unit Cell Volume: 237.16680875063398
  • Molar Volume: 14.282519058963173
  • Full Formula: Sn4 I2 F4
  • Reduced Formula: Sn2IF2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm