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  1. Third-Parties
  2. MatprojStructure
  3. mp-40134

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-40134
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Zn', 'Si', 'H', 'O', 'F']
  • Chemical System: F-H-O-Si-Zn
  • Density: 2.016923266311591
  • Atomic Density: 0.10007113709246335
  • Unit Cell Volume: 259.8151750386989
  • Molar Volume: 6.017859829488782
  • Full Formula: Zn1 Si1 H12 O6 F6
  • Reduced Formula: ZnSiH12(OF)6
  • Formula Anonymous: ABC6D6E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -137.28030452000002
  • Final energy per atom: -5.280011712307693
  • 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.