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  1. Third-Parties
  2. MatprojStructure
  3. mp-696752

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-696752
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'P', 'H', 'O']
  • Chemical System: H-K-O-P
  • Density: 2.2529821202570885
  • Atomic Density: 0.07976027585731432
  • Unit Cell Volume: 200.60111161880766
  • Molar Volume: 7.550300817380821
  • Full Formula: K2 P2 H4 O8
  • Reduced Formula: KP(HO2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -101.18176397
  • Final energy per atom: -6.323860248125
  • 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.