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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99918
  • 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: 6
  • Number of elements: 4
  • Element list: ['Tl', 'Bi', 'Pb', 'S']
  • Chemical System: Bi-Pb-S-Tl
  • Density: 7.292282749942522
  • Atomic Density: 0.03676145391500645
  • Unit Cell Volume: 163.21443689012338
  • Molar Volume: 16.38167188360766
  • Full Formula: Tl1 Bi1 Pb1 S3
  • Reduced Formula: TlBiPbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2