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  1. Third-Parties
  2. MatprojStructure
  3. mp-740731

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-740731
  • 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: 4
  • Element list: ['Al', 'H', 'Se', 'O']
  • Chemical System: Al-H-O-Se
  • Density: 2.318195944592245
  • Atomic Density: 0.08228254144542023
  • Unit Cell Volume: 777.8077691298897
  • Molar Volume: 7.318856046752779
  • Full Formula: Al4 H24 Se6 O30
  • Reduced Formula: Al2H12(SeO5)3
  • Formula Anonymous: A2B3C12D15
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -364.66510945
  • Final energy per atom: -5.69789233515625
  • 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.