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  1. Third-Parties
  2. MatprojStructure
  3. mp-28235

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-28235
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'O']
  • Chemical System: Cu-O-Tl
  • Density: 7.716789284790916
  • Atomic Density: 0.0639269638528993
  • Unit Cell Volume: 156.4285146250766
  • Molar Volume: 9.420345339499299
  • Full Formula: Tl2 Cu4 O4
  • Reduced Formula: Tl(CuO)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -49.23443753999999
  • Final energy per atom: -4.923443753999999
  • 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.