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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85270
  • 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: 2
  • Element list: ['Ca', 'Cl']
  • Chemical System: Ca-Cl
  • Density: 2.2361151885549555
  • Atomic Density: 0.036400383187771695
  • Unit Cell Volume: 329.6668592222751
  • Molar Volume: 16.544168584530375
  • Full Formula: Ca4 Cl8
  • Reduced Formula: CaCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm