Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216651

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-1216651
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Tl', 'Fe', 'Cu', 'Te']
  • Chemical System: Cu-Fe-Te-Tl
  • Density: 7.487456041435673
  • Atomic Density: 0.038682734701251845
  • Unit Cell Volume: 258.51326379146565
  • Molar Volume: 15.568032628792174
  • Full Formula: Tl2 Fe1 Cu3 Te4
  • Reduced Formula: Tl2FeCu3Te4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -40.99381636
  • Final energy per atom: -4.0993816359999995
  • 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.