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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118115
  • 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: ['P', 'S', 'Cl']
  • Chemical System: Cl-P-S
  • Density: 1.5311552776694133
  • Atomic Density: 0.028086103112040822
  • Unit Cell Volume: 106.81439101866242
  • Molar Volume: 21.44170993026883
  • Full Formula: P1 S1 Cl1
  • Reduced Formula: PSCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m