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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100072
  • 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: ['Ta', 'O', 'F']
  • Chemical System: F-O-Ta
  • Density: 6.462709457028249
  • Atomic Density: 0.07663023646803095
  • Unit Cell Volume: 65.24839580895629
  • Molar Volume: 7.858700478514576
  • Full Formula: Ta1 O1 F3
  • Reduced Formula: TaOF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm