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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1725779
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cl', 'K', 'Ti']
  • Chemical System: Cl-K-Ti
  • Density: 2.640463510157122
  • Atomic Density: 0.04112582571178328
  • Unit Cell Volume: 243.15621211065002
  • Molar Volume: 14.64320935998751
  • Full Formula: K2 Ti2 Cl6
  • Reduced Formula: KTiCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm