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  1. Third-Parties
  2. MatprojStructure
  3. mp-19931

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-19931
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Na', 'Mg', 'Al', 'F']
  • Chemical System: Al-F-Mg-Na
  • Density: 2.829086586033956
  • Atomic Density: 0.08139185506994912
  • Unit Cell Volume: 270.2973163726634
  • Molar Volume: 7.398947664756507
  • Full Formula: Na4 Mg2 Al2 F14
  • Reduced Formula: Na2MgAlF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -121.53170916
  • Final energy per atom: -5.524168598181818
  • 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.