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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44556
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'P', 'C', 'O']
  • Chemical System: C-K-O-P-Ti
  • Density: 2.6220340818507446
  • Atomic Density: 0.0717900506737431
  • Unit Cell Volume: 306.44914989656644
  • Molar Volume: 8.38854507481574
  • Full Formula: K2 Ti2 P2 C2 O14
  • Reduced Formula: KTiPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2