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  1. Third-Parties
  2. MatprojStructure
  3. mp-699485

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-699485
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 4
  • Element list: ['Al', 'H', 'N', 'O']
  • Chemical System: Al-H-N-O
  • Density: 1.597313256176331
  • Atomic Density: 0.09287070178939844
  • Unit Cell Volume: 1335.18965196573
  • Molar Volume: 6.484435504381481
  • Full Formula: Al4 H48 N12 O60
  • Reduced Formula: AlH12(NO5)3
  • Formula Anonymous: AB3C12D15
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -735.19789342
  • Final energy per atom: -5.929015269516129
  • 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.