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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122096
  • 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: 16
  • Number of elements: 3
  • Element list: ['Sr', 'Zr', 'F']
  • Chemical System: F-Sr-Zr
  • Density: 4.363231574188484
  • Atomic Density: 0.07178389695884453
  • Unit Cell Volume: 222.8912148524507
  • Molar Volume: 8.38926418755538
  • Full Formula: Sr2 Zr2 F12
  • Reduced Formula: SrZrF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm