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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229318

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-1229318
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 126
  • Number of elements: 4
  • Element list: ['Al', 'H', 'Se', 'O']
  • Chemical System: Al-H-O-Se
  • Density: 1.975121500341765
  • Atomic Density: 0.09743668874894577
  • Unit Cell Volume: 1293.1473926074204
  • Molar Volume: 6.180567953737198
  • Full Formula: Al4 H60 Se6 O56
  • Reduced Formula: Al2H30Se3O28
  • Formula Anonymous: A2B3C28D30
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -689.83290145
  • Final energy per atom: -5.474864297222222
  • 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.