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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40166
  • 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: 28
  • Number of elements: 4
  • Element list: ['K', 'P', 'Pd', 'S']
  • Chemical System: K-P-Pd-S
  • Density: 2.6109308372691884
  • Atomic Density: 0.03611583476493544
  • Unit Cell Volume: 775.2832014611209
  • Molar Volume: 16.674516314508242
  • Full Formula: K4 P4 Pd4 S16
  • Reduced Formula: KPPdS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm