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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17429
  • 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: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'F']
  • Chemical System: F-Ti-Zr
  • Density: 3.0443829349285503
  • Atomic Density: 0.05795353171566974
  • Unit Cell Volume: 138.04163030562853
  • Molar Volume: 10.391326605504712
  • Full Formula: Zr1 Ti1 F6
  • Reduced Formula: ZrTiF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m