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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12727
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 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: 5.121051733393647
  • Atomic Density: 0.04391870954284672
  • Unit Cell Volume: 273.23207181879746
  • Molar Volume: 13.712016638660229
  • Full Formula: Sn4 I2 F6
  • Reduced Formula: Sn2IF3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm