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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97342
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sm', 'Zr', 'F']
  • Chemical System: F-Sm-Zr
  • Density: 4.381541837517428
  • Atomic Density: 0.06339924871823743
  • Unit Cell Volume: 567.8300725611633
  • Molar Volume: 9.498757290900942
  • Full Formula: Sm4 Zr4 F28
  • Reduced Formula: SmZrF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m