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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11561
  • 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: 14
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'F']
  • Chemical System: F-Mg-Ti
  • Density: 3.0940561076631874
  • Atomic Density: 0.07802509951835075
  • Unit Cell Volume: 179.42944112115276
  • Molar Volume: 7.718209649426529
  • Full Formula: Mg2 Ti2 F10
  • Reduced Formula: MgTiF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m