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  1. Third-Parties
  2. MatprojStructure
  3. mp-30519

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-30519
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Tl', 'Pb', 'Cl']
  • Chemical System: Cl-Pb-Tl
  • Density: 5.872666641366539
  • Atomic Density: 0.03190552050373219
  • Unit Cell Volume: 1128.3313806395622
  • Molar Volume: 18.87491777260162
  • Full Formula: Tl12 Pb4 Cl20
  • Reduced Formula: Tl3PbCl5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -130.58190675999998
  • Final energy per atom: -3.6272751877777774
  • 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.