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  1. Third-Parties
  2. MatprojStructure
  3. mp-29740

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-29740
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Zn', 'Sb']
  • Chemical System: Sb-Tl-Zn
  • Density: 7.063618008668419
  • Atomic Density: 0.03675180258422524
  • Unit Cell Volume: 272.0954972775197
  • Molar Volume: 16.385973847674205
  • Full Formula: Tl2 Zn4 Sb4
  • Reduced Formula: Tl(ZnSb)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -27.11041696
  • Final energy per atom: -2.7110416959999997
  • 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.