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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58627
  • 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: ['Pr', 'Ti', 'O']
  • Chemical System: O-Pr-Ti
  • Density: 4.7610303212930205
  • Atomic Density: 0.07757511592743706
  • Unit Cell Volume: 232.03316920385927
  • Molar Volume: 7.762980032969654
  • Full Formula: Pr2 Ti4 O12
  • Reduced Formula: PrTi2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2