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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173812

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-1173812
  • 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: 6
  • Element list: ['Na', 'Mg', 'Sc', 'Si', 'O', 'F']
  • Chemical System: F-Mg-Na-O-Sc-Si
  • Density: 2.9033797953920124
  • Atomic Density: 0.08469019253789879
  • Unit Cell Volume: 944.6194134486124
  • Molar Volume: 7.110788840520225
  • Full Formula: Na6 Mg8 Sc2 Si16 O44 F4
  • Reduced Formula: Na3Mg4ScSi8(O11F)2
  • Formula Anonymous: AB2C3D4E8F22
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -605.48478486
  • Final energy per atom: -7.56855981075
  • 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.