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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9554
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'O']
  • Chemical System: Ca-O-Ti
  • Density: 3.861812803403669
  • Atomic Density: 0.08179681761485973
  • Unit Cell Volume: 220.05746097302944
  • Molar Volume: 7.362316695932165
  • Full Formula: Ca4 Ti4 O10
  • Reduced Formula: Ca2Ti2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm