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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173560

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-1173560
  • 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: 40
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Si', 'O', 'F']
  • Chemical System: F-Mg-Na-O-Si
  • Density: 2.8914533548146943
  • Atomic Density: 0.086364451707057
  • Unit Cell Volume: 463.15352218847613
  • Molar Volume: 6.972939260271966
  • Full Formula: Na2 Mg6 Si8 O22 F2
  • Reduced Formula: NaMg3Si4O11F
  • Formula Anonymous: ABC3D4E11
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -297.14154779
  • Final energy per atom: -7.42853869475
  • 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.