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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105460
  • 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: 9
  • Number of elements: 3
  • Element list: ['La', 'Ti', 'O']
  • Chemical System: La-O-Ti
  • Density: 4.720141057739707
  • Atomic Density: 0.07737460088625078
  • Unit Cell Volume: 116.31723972613436
  • Molar Volume: 7.783097671616055
  • Full Formula: La1 Ti2 O6
  • Reduced Formula: LaTi2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m