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  1. Third-Parties
  2. MatprojStructure
  3. mp-541071

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-541071
  • 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: 52
  • Number of elements: 5
  • Element list: ['K', 'Zr', 'P', 'H', 'O']
  • Chemical System: H-K-O-P-Zr
  • Density: 2.7415556273454773
  • Atomic Density: 0.06680625657450313
  • Unit Cell Volume: 778.3702106105733
  • Molar Volume: 9.01433648401484
  • Full Formula: K4 Zr4 P8 H4 O32
  • Reduced Formula: KZrP2HO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -403.71557749
  • Final energy per atom: -7.763761105576923
  • 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.