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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9476
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'P', 'O']
  • Chemical System: Ca-O-P-Ti
  • Density: 3.4846284134387715
  • Atomic Density: 0.08439722462727997
  • Unit Cell Volume: 189.57969377144983
  • Molar Volume: 7.135472507058538
  • Full Formula: Ca2 Ti2 P2 O10
  • Reduced Formula: CaTiPO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m