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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118341
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'O', 'F']
  • Chemical System: F-O-Ti
  • Density: 4.065309344843285
  • Atomic Density: 0.09026648203089827
  • Unit Cell Volume: 66.46985531070322
  • Molar Volume: 6.671513749631472
  • Full Formula: Ti2 O3 F1
  • Reduced Formula: Ti2O3F
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2