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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212547

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-1212547
  • 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: 100
  • Number of elements: 5
  • Element list: ['K', 'Na', 'P', 'H', 'O']
  • Chemical System: H-K-Na-O-P
  • Density: 2.096942318468192
  • Atomic Density: 0.08172688135419173
  • Unit Cell Volume: 1223.5876169875537
  • Molar Volume: 7.368616861692015
  • Full Formula: K12 Na4 P8 H32 O44
  • Reduced Formula: K3NaP2H8O11
  • Formula Anonymous: AB2C3D8E11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -586.1553004799999
  • Final energy per atom: -5.861553004799999
  • 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.