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  1. Third-Parties
  2. MatprojStructure
  3. mp-28584

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-28584
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'I']
  • Chemical System: Cu-I-Tl
  • Density: 6.455841025391999
  • Atomic Density: 0.02734593056021498
  • Unit Cell Volume: 877.64429691477
  • Molar Volume: 22.02207288846658
  • Full Formula: Tl8 Cu4 I12
  • Reduced Formula: Tl2CuI3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -70.09781695
  • Final energy per atom: -2.9207423729166666
  • 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.