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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118118
  • 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: 4
  • Number of elements: 3
  • Element list: ['P', 'S', 'Cl']
  • Chemical System: Cl-P-S
  • Density: 2.167339095797981
  • Atomic Density: 0.038977324440823045
  • Unit Cell Volume: 102.62377054825716
  • Molar Volume: 15.450369789088676
  • Full Formula: P1 S1 Cl2
  • Reduced Formula: PSCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm