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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116080
  • 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: 3
  • Number of elements: 3
  • Element list: ['Sb', 'P', 'F']
  • Chemical System: F-P-Sb
  • Density: 4.454372600958823
  • Atomic Density: 0.04686051464818678
  • Unit Cell Volume: 64.01978344717308
  • Molar Volume: 12.851204911453145
  • Full Formula: Sb1 P1 F1
  • Reduced Formula: SbPF
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm