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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211039

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-1211039
  • 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: 42
  • Number of elements: 4
  • Element list: ['Mn', 'Si', 'O', 'F']
  • Chemical System: F-Mn-O-Si
  • Density: 2.487667092257387
  • Atomic Density: 0.07157942694465087
  • Unit Cell Volume: 586.7607746074399
  • Molar Volume: 8.413228516982468
  • Full Formula: Mn3 Si3 O18 F18
  • Reduced Formula: MnSi(OF)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -215.9614762
  • Final energy per atom: -5.141939909523809
  • 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.