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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105981
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Te', 'Pb', 'S']
  • Chemical System: Pb-S-Te
  • Density: 7.6235902049168445
  • Atomic Density: 0.03198964112177688
  • Unit Cell Volume: 125.04047747122142
  • Molar Volume: 18.825283900732604
  • Full Formula: Te1 Pb2 S1
  • Reduced Formula: TePb2S
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm