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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8327
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Y', 'Ti', 'F']
  • Chemical System: F-Ti-Y
  • Density: 3.220014056494789
  • Atomic Density: 0.058567826811437504
  • Unit Cell Volume: 119.51954479268804
  • Molar Volume: 10.282336033038462
  • Full Formula: Y1 Ti1 F5
  • Reduced Formula: YTiF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm