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  1. Third-Parties
  2. MatprojStructure
  3. mp-571259

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-571259
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Tl', 'Zn', 'N']
  • Chemical System: N-Tl-Zn
  • Density: 4.291625344307119
  • Atomic Density: 0.06036091197637469
  • Unit Cell Volume: 994.0207666756932
  • Molar Volume: 9.976888292140236
  • Full Formula: Tl8 Zn4 N48
  • Reduced Formula: Tl2ZnN12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -420.02628467
  • Final energy per atom: -7.0004380778333335
  • 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.