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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217268

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-1217268
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Tm', 'Pb', 'S']
  • Chemical System: Pb-S-Tm
  • Density: 6.586271825235201
  • Atomic Density: 0.04123458686063888
  • Unit Cell Volume: 1358.0832078969045
  • Molar Volume: 14.604586145977683
  • Full Formula: Tm16 Pb8 S32
  • Reduced Formula: Tm2PbS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -341.16474666
  • Final energy per atom: -6.092227618928571
  • 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.