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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21296
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Si', 'O']
  • Chemical System: Ca-O-Si-Ti
  • Density: 3.5084994771100155
  • Atomic Density: 0.08799494617872519
  • Unit Cell Volume: 227.28578024672356
  • Molar Volume: 6.843734806960984
  • Full Formula: Ca2 Ti2 Si4 O12
  • Reduced Formula: CaTi(SiO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m