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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247833

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-1247833
  • 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: 38
  • Number of elements: 5
  • Element list: ['Al', 'Si', 'H', 'O', 'F']
  • Chemical System: Al-F-H-O-Si
  • Density: 3.3877536557045866
  • Atomic Density: 0.10588212346606461
  • Unit Cell Volume: 358.8896666978828
  • Molar Volume: 5.687589710958249
  • Full Formula: Al8 Si4 H2 O18 F6
  • Reduced Formula: Al4Si2H(O3F)3
  • Formula Anonymous: AB2C3D4E9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -284.8096207
  • Final energy per atom: -7.494990018421052
  • 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.