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  1. Third-Parties
  2. MatprojStructure
  3. mp-693340

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-693340
  • 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: 64
  • Number of elements: 6
  • Element list: ['Al', 'Zn', 'P', 'H', 'N', 'O']
  • Chemical System: Al-H-N-O-P-Zn
  • Density: 2.4695305046139016
  • Atomic Density: 0.08035746051507252
  • Unit Cell Volume: 796.4412960511069
  • Molar Volume: 7.494189987338434
  • Full Formula: Al4 Zn4 P8 H13 N3 O32
  • Reduced Formula: Al4Zn4P8H13N3O32
  • Formula Anonymous: A3B4C4D8E13F32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -433.35944626
  • Final energy per atom: -6.7712413478125
  • 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.