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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226394

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-1226394
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'Se', 'Br']
  • Chemical System: Br-Cr-Cu-Se
  • Density: 5.496000652948564
  • Atomic Density: 0.04783671426249346
  • Unit Cell Volume: 292.6622410389241
  • Molar Volume: 12.588951504810353
  • Full Formula: Cr4 Cu2 Se6 Br2
  • Reduced Formula: Cr2CuSe3Br
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -81.4175142
  • Final energy per atom: -5.815536728571429
  • 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.