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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116662
  • 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: 12
  • Number of elements: 3
  • Element list: ['Pd', 'Se', 'S']
  • Chemical System: Pd-S-Se
  • Density: 5.753633510948619
  • Atomic Density: 0.047804075830246186
  • Unit Cell Volume: 251.0246206330269
  • Molar Volume: 12.597546663980738
  • Full Formula: Pd4 Se4 S4
  • Reduced Formula: PdSeS
  • Formula Anonymous: ABC
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222