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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180674

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-1180674
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'Cu', 'Se']
  • Chemical System: Cu-K-Se-Zr
  • Density: 4.41555520685564
  • Atomic Density: 0.03758161781422278
  • Unit Cell Volume: 239.47878041040445
  • Molar Volume: 16.024165829606513
  • Full Formula: K1 Zr1 Cu3 Se4
  • Reduced Formula: KZrCu3Se4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -43.5875493
  • Final energy per atom: -4.843061033333333
  • 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.