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  1. Third-Parties
  2. MatprojStructure
  3. mp-640324

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-640324
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Tm', 'Cu', 'Pb', 'Se']
  • Chemical System: Cu-Pb-Se-Tm
  • Density: 7.713470840723002
  • Atomic Density: 0.04119509821635134
  • Unit Cell Volume: 582.5935861095682
  • Molar Volume: 14.6185857559375
  • Full Formula: Tm4 Cu4 Pb4 Se12
  • Reduced Formula: TmCuPbSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -120.61802751
  • Final energy per atom: -5.02575114625
  • 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.