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  1. Third-Parties
  2. MatprojStructure
  3. mp-706243

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-706243
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Al', 'Si', 'H', 'N', 'O']
  • Chemical System: Al-H-N-O-Si
  • Density: 1.9909762775807256
  • Atomic Density: 0.0896670672512571
  • Unit Cell Volume: 1115.236653383442
  • Molar Volume: 6.716112107386417
  • Full Formula: Al8 Si12 H32 N8 O40
  • Reduced Formula: Al2Si3H8(NO5)2
  • Formula Anonymous: A2B2C3D8E10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -688.1981609500001
  • Final energy per atom: -6.881981609500001
  • 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.