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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4423
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zn', 'P', 'S']
  • Chemical System: P-S-Zn
  • Density: 3.162767117466401
  • Atomic Density: 0.04945178659585896
  • Unit Cell Volume: 202.21716318814234
  • Molar Volume: 12.177802208068835
  • Full Formula: Zn2 P2 S6
  • Reduced Formula: ZnPS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m