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  1. Third-Parties
  2. MatprojStructure
  3. mp-686801

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-686801
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 5
  • Element list: ['Al', 'Zn', 'P', 'H', 'O']
  • Chemical System: Al-H-O-P-Zn
  • Density: 2.2293379623680947
  • Atomic Density: 0.09056704259317018
  • Unit Cell Volume: 607.2849286584483
  • Molar Volume: 6.649373312377697
  • Full Formula: Al6 Zn1 P4 H16 O28
  • Reduced Formula: Al6ZnP4(H4O7)4
  • Formula Anonymous: AB4C6D16E28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -325.19222505
  • Final energy per atom: -5.91258591
  • 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.