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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114414
  • 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: ['Zn', 'P', 'S']
  • Chemical System: P-S-Zn
  • Density: 4.200424296385364
  • Atomic Density: 0.05907976747768844
  • Unit Cell Volume: 50.7788051321115
  • Molar Volume: 10.193237071006196
  • Full Formula: Zn1 P1 S1
  • Reduced Formula: ZnPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm