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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107533
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Pb', 'Se', 'S']
  • Chemical System: Pb-S-Se
  • Density: 7.829376236462146
  • Atomic Density: 0.03436106256026163
  • Unit Cell Volume: 232.82167092387752
  • Molar Volume: 17.52606092852487
  • Full Formula: Pb4 Se3 S1
  • Reduced Formula: Pb4Se3S
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm