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  1. Third-Parties
  2. MatprojStructure
  3. mp-721958

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-721958
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['K', 'P', 'H', 'O']
  • Chemical System: H-K-O-P
  • Density: 2.2084873141281163
  • Atomic Density: 0.07328047105804512
  • Unit Cell Volume: 791.4796283727279
  • Molar Volume: 8.217934018505272
  • Full Formula: K8 P8 H12 O30
  • Reduced Formula: K4P4(H2O5)3
  • Formula Anonymous: A4B4C6D15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -372.59542768
  • Final energy per atom: -6.424059097931035
  • 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.