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  1. Third-Parties
  2. MatprojStructure
  3. mp-675130

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-675130
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Tb', 'Pb', 'Se']
  • Chemical System: Pb-Se-Tb
  • Density: 7.56422947069192
  • Atomic Density: 0.039705575659708586
  • Unit Cell Volume: 1712.6058209754988
  • Molar Volume: 15.166990176926198
  • Full Formula: Tb24 Pb4 Se40
  • Reduced Formula: Tb6PbSe10
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -398.84915884
  • Final energy per atom: -5.865428806470588
  • 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.