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  1. Third-Parties
  2. MatprojStructure
  3. mp-4647

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-4647
  • 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: 17
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'Se']
  • Chemical System: Cu-K-Se
  • Density: 5.204118827360504
  • Atomic Density: 0.04845987054265884
  • Unit Cell Volume: 350.8057246053729
  • Molar Volume: 12.42706737051383
  • Full Formula: K3 Cu8 Se6
  • Reduced Formula: K3(Cu4Se3)2
  • Formula Anonymous: A3B6C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -67.71193763
  • Final energy per atom: -3.983055154705882
  • 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.