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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11341
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ca', 'Cr', 'F']
  • Chemical System: Ca-Cr-F
  • Density: 3.04093055828914
  • Atomic Density: 0.0738322567858655
  • Unit Cell Volume: 203.16323315843178
  • Molar Volume: 8.156517248911838
  • Full Formula: Ca1 Cr2 F12
  • Reduced Formula: CaCr2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1