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  1. Third-Parties
  2. MatprojStructure
  3. mp-685189

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-685189
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 2
  • Element list: ['Cu', 'Se']
  • Chemical System: Cu-Se
  • Density: 6.278494468051536
  • Atomic Density: 0.05428772794459805
  • Unit Cell Volume: 884.1777288779734
  • Molar Volume: 11.093005708667235
  • Full Formula: Cu29 Se19
  • Reduced Formula: Cu29Se19
  • Formula Anonymous: A19B29
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -196.030186
  • Final energy per atom: -4.083962208333333
  • 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.