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  1. Third-Parties
  2. MatprojStructure
  3. mp-643346

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-643346
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Al', 'Ge', 'H', 'O']
  • Chemical System: Al-Ge-H-O
  • Density: 3.6956656596706963
  • Atomic Density: 0.10899255063642174
  • Unit Cell Volume: 201.848657284733
  • Molar Volume: 5.5252773926620975
  • Full Formula: Al4 Ge2 H4 O12
  • Reduced Formula: Al2Ge(HO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -151.87570471
  • Final energy per atom: -6.9034411231818185
  • 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.