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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121124
  • 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: 3
  • Number of elements: 2
  • Element list: ['I', 'F']
  • Chemical System: F-I
  • Density: 4.184432807183181
  • Atomic Density: 0.027711031981848103
  • Unit Cell Volume: 108.26013271411641
  • Molar Volume: 21.731925263356327
  • Full Formula: I2 F1
  • Reduced Formula: I2F
  • Formula Anonymous: AB2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm