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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221376

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-1221376
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Na', 'Mn', 'Fe', 'F']
  • Chemical System: F-Fe-Mn-Na
  • Density: 3.126787667681285
  • Atomic Density: 0.07148524765939201
  • Unit Cell Volume: 923.2674175582667
  • Molar Volume: 8.424312647966026
  • Full Formula: Na12 Mn6 Fe6 F42
  • Reduced Formula: Na2MnFeF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -391.74056988
  • Final energy per atom: -5.93546318
  • 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.