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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211626

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-1211626
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['K', 'V', 'Cd', 'Cu', 'O']
  • Chemical System: Cd-Cu-K-O-V
  • Density: 4.430036702949642
  • Atomic Density: 0.07657078203019753
  • Unit Cell Volume: 574.6317176524009
  • Molar Volume: 7.864802474689398
  • Full Formula: K2 V6 Cd2 Cu8 O26
  • Reduced Formula: KV3CdCu4O13
  • Formula Anonymous: ABC3D4E13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -296.71482819
  • Final energy per atom: -6.7435188225
  • 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.