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  1. Third-Parties
  2. MatprojStructure
  3. mp-556333

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-556333
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 6
  • Element list: ['K', 'Zn', 'Cu', 'P', 'O', 'F']
  • Chemical System: Cu-F-K-O-P-Zn
  • Density: 3.626548615983391
  • Atomic Density: 0.07529049797423983
  • Unit Cell Volume: 584.4030944655768
  • Molar Volume: 7.998540216934729
  • Full Formula: K4 Zn2 Cu6 P6 O24 F2
  • Reduced Formula: K2ZnCu3P3O12F
  • Formula Anonymous: ABC2D3E3F12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -283.17834661
  • Final energy per atom: -6.435871513863637
  • 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.