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  1. Third-Parties
  2. MatprojStructure
  3. mp-695597

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-695597
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Si', 'O', 'F']
  • Chemical System: F-Mg-Na-O-Si
  • Density: 3.059937926898578
  • Atomic Density: 0.0913968959153971
  • Unit Cell Volume: 875.3032496207879
  • Molar Volume: 6.588999221127253
  • Full Formula: Na4 Mg12 Si16 O44 F4
  • Reduced Formula: NaMg3Si4O11F
  • Formula Anonymous: ABC3D4E11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -572.37275503
  • Final energy per atom: -7.154659437875
  • 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.