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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57462
  • 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: 9
  • Number of elements: 3
  • Element list: ['Yb', 'S', 'F']
  • Chemical System: F-S-Yb
  • Density: 8.172608247224925
  • Atomic Density: 0.06719054484909866
  • Unit Cell Volume: 133.94741805134703
  • Molar Volume: 8.962780066041963
  • Full Formula: Yb3 S2 F4
  • Reduced Formula: Yb3(SF2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm