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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197829

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-1197829
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['K', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-H-K-O-P
  • Density: 2.3536740861424144
  • Atomic Density: 0.10285688050891167
  • Unit Cell Volume: 525.0013390725121
  • Molar Volume: 5.854874005709548
  • Full Formula: K2 Al4 P4 H18 O26
  • Reduced Formula: KAl2P2H9O13
  • Formula Anonymous: AB2C2D9E13
  • Spacegroup Number: 32
  • Spacegroup Symbol: Pba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -345.01959662
  • Final energy per atom: -6.3892517892592595
  • 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.