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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216816

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1216816
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Tl', 'Sb', 'Pb', 'S']
  • Chemical System: Pb-S-Sb-Tl
  • Density: 5.266698149721828
  • Atomic Density: 0.030228627178696243
  • Unit Cell Volume: 198.4873465980131
  • Molar Volume: 19.92197900486903
  • Full Formula: Tl1 Sb1 Pb1 S3
  • Reduced Formula: TlSbPbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -26.02580143
  • Final energy per atom: -4.337633571666667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.