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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106469
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'O']
  • Chemical System: O-Ta-Ti
  • Density: 7.134713451880928
  • Atomic Density: 0.08804183900428149
  • Unit Cell Volume: 68.1494170028436
  • Molar Volume: 6.840089698384359
  • Full Formula: Ta1 Ti1 O4
  • Reduced Formula: TaTiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm