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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202621

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-1202621
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['K', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-K-O-P
  • Density: 2.2715779080261362
  • Atomic Density: 0.07233727741440706
  • Unit Cell Volume: 1216.5235290217527
  • Molar Volume: 8.32508628366016
  • Full Formula: K12 B4 P12 H12 O48
  • Reduced Formula: K3BP3(HO4)3
  • Formula Anonymous: AB3C3D3E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -596.35158148
  • Final energy per atom: -6.776722516818182
  • 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.