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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2065
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ca', 'I']
  • Chemical System: Ca-I
  • Density: 4.050586311366502
  • Atomic Density: 0.024900597082682243
  • Unit Cell Volume: 120.47903871696421
  • Molar Volume: 24.18472432610161
  • Full Formula: Ca1 I2
  • Reduced Formula: CaI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1