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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10908
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'F']
  • Chemical System: Ca-F-Ti
  • Density: 2.6778608098820107
  • Atomic Density: 0.06434820900421842
  • Unit Cell Volume: 202.02582482362126
  • Molar Volume: 9.358676571099611
  • Full Formula: Ca1 Ti2 F10
  • Reduced Formula: CaTi2F10
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2