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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198719

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-1198719
  • 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: 216
  • Number of elements: 5
  • Element list: ['K', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-H-K-O-P
  • Density: 2.089773720329489
  • Atomic Density: 0.10125711999331426
  • Unit Cell Volume: 2133.1833259158657
  • Molar Volume: 5.9473751183103225
  • Full Formula: K6 Al10 P16 H84 O100
  • Reduced Formula: K3Al5P8(H21O25)2
  • Formula Anonymous: A3B5C8D42E50
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -1340.12799513
  • Final energy per atom: -6.20429627375
  • 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.