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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224640

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-1224640
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-K-O-P
  • Density: 2.1688356637746544
  • Atomic Density: 0.07602247798078635
  • Unit Cell Volume: 631.3922049756304
  • Molar Volume: 7.9215265273542075
  • Full Formula: K6 B10 P2 H4 O26
  • Reduced Formula: K3B5PH2O13
  • Formula Anonymous: AB2C3D5E13
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -347.81514092000003
  • Final energy per atom: -7.246148769166667
  • 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.