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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24968
  • 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: 22
  • Number of elements: 4
  • Element list: ['Pr', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-Pr-S
  • Density: 4.909663585608857
  • Atomic Density: 0.04168638349043434
  • Unit Cell Volume: 527.7502665840101
  • Molar Volume: 14.446301779529241
  • Full Formula: Pr8 S6 N2 Cl6
  • Reduced Formula: Pr4S3NCl3
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm