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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103630
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pu', 'Ti', 'O']
  • Chemical System: O-Pu-Ti
  • Density: 9.420396980641335
  • Atomic Density: 0.08346096724834745
  • Unit Cell Volume: 59.90824411514355
  • Molar Volume: 7.215517574916722
  • Full Formula: Pu1 Ti1 O3
  • Reduced Formula: PuTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m