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  1. Third-Parties
  2. MatprojStructure
  3. mp-22625

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-22625
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Cr', 'Cu', 'Te']
  • Chemical System: Cr-Cu-Te
  • Density: 6.416375686428508
  • Atomic Density: 0.03989776987968396
  • Unit Cell Volume: 350.8968055662889
  • Molar Volume: 15.093928252532452
  • Full Formula: Cr4 Cu2 Te8
  • Reduced Formula: Cr2CuTe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -78.36615157
  • Final energy per atom: -5.597582255
  • 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.