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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104705
  • 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: 4
  • Number of elements: 3
  • Element list: ['Pb', 'Se', 'S']
  • Chemical System: Pb-S-Se
  • Density: 7.683735600366935
  • Atomic Density: 0.03522674967047521
  • Unit Cell Volume: 113.55007309551871
  • Molar Volume: 17.095363087237565
  • Full Formula: Pb2 Se1 S1
  • Reduced Formula: Pb2SeS
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm